Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2494886 | 0.89 | CES2 (0.44) | ACHECES2CES1ALDH1A1MTNR1A | |
| SCHEMBL13647240 | 0.83 | DRD1 (0.46) | ALDH1A1LMNAMAPTKDM4EDRD1 | |
| SCHEMBL28000518 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.81 | ACHE (0.70) | ACHECES2CES1ALDH1A1CA1 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.81 | ACHE (0.70) | ACHECES2CES1ALDH1A1CA1 | |
| SCHEMBL178565 | 0.80 | NPSR1 (0.57) | ACHECES2CES1ALDH1A1CA1 | |
| SCHEMBL4112724 | 0.80 | TP53 (0.70) | ALDH1A1LMNAMAPTSMN1; SMN2TSHR | |
| SCHEMBL257130 | 0.78 | ACHE (0.56) | ACHEALDH1A1LMNAMAPTDRD1 | |
| SCHEMBL2542201 | 0.78 | DRD1 (0.46) | LMNAMAPTKDM4EDRD1SMN1; SMN2 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.78 | ACHE (0.67) | ACHECES2CES1ALDH1A1CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220119351-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2022-04-21 | — | — | US | disclosed |
| WO-2020223136-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2020-11-05 | — | — | WO | disclosed |
| US-20150336866-A1 | SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-11-26 | — | — | US | disclosed |
| US-8933229-B2 | 8-azabicyclo[3.2.1]octane-8-carboxamide derivative | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2015-01-13 | — | — | US | disclosed |
| US-8933229-B2 | 8-azabicyclo[3.2.1]octane-8-carboxamide derivative | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2015-01-13 | — | — | US | disclosed |
| WO-2014107380-A1 | SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-07-10 | — | — | WO | disclosed |
| US-8426631-B2 | Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same | BASF SE (DE) | 2013-04-23 | — | — | US | disclosed |
| EP-2500345-A1 | 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-09-19 | — | — | EP | disclosed |
| US-20120225876-A1 | 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-09-06 | — | — | US | disclosed |
| US-20120225876-A1 | 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-09-06 | — | — | US | disclosed |
| US-8030499-B2 | 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20100304966-A1 | Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same | BASF SE (DE) | 2010-12-02 | — | — | US | disclosed |
| US-20100210637-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | MSD K.K. (JP) | 2010-08-19 | — | — | US | disclosed |
| US-7595316-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-09-29 | — | — | US | disclosed |
| US-20080318923-A1 | 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-25 | — | — | US | disclosed |
| US-20070105890-A1 | Novel condensed imidazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD | 2007-05-10 | — | — | US | disclosed |
| US-20070082908-A1 | Bicycle pyrazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-04-12 | — | — | US | disclosed |
| US-20070082908-A1 | Bicycle pyrazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-04-12 | — | — | US | disclosed |
| US-20060178375-A1 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | MSD K.K. (JP) | 2006-08-10 | — | — | US | disclosed |
| EP-1642898-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-04-05 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070105890-A1 | Novel condensed imidazole derivative | DPP4, DPP7, DPP3 | ACHE 75/4885CES2 432/4885CES1 101/4885 |
| US-20150336866-A1 | SYNTHESIS OF DIFLUOROMETHYL ETHERS AND SULFIDES | DDT, ABL1, TYR | ACHE 3806/4885CES2 2557/4885CES1 3510/4885 |
| US-20120225876-A1 | 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE | HDAC10, HDAC11, HDAC1 | ACHE 2672/4885CES2 402/4885CES1 489/4885 |
| US-20060178375-A1 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | HRH3, HRH4, HCRTR2 | ACHE 2143/4885CES2 1185/4885CES1 1167/4885 |
| US-20100210637-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | HRH3, HRH4, HRH2 | ACHE 826/4885CES2 952/4885CES1 726/4885 |
| US-20080318923-A1 | 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle | AVPR1B, AVPR1A, AVPR2 | ACHE 2436/4885CES2 3531/4885CES1 3264/4885 |
| US-20220119351-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA5, CHRNA2 | ACHE 29/4885CES2 1934/4885CES1 2246/4885 |
| US-20070082908-A1 | Bicycle pyrazole derivative | DPP4, DPP7, DPP3 | ACHE 491/4885CES2 436/4885CES1 79/4885 |
| US-20100304966-A1 | Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same | CYP51A1, ERG28, CAT | ACHE 795/4885CES2 311/4885CES1 1399/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.