Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4609324 | 0.80 | KDM4E (0.58) | ALDH1A1KDM4EAOC3SLC6A4SLC6A2 | |
| SCHEMBL11320852 | 0.79 | ALDH1A1 (0.66) | ALDH1A1KDM4EAOC3LMNAMAPK1 | |
| SCHEMBL9636215 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4EAOC3GSRLMNA | |
| SCHEMBL1979844 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4EAOC3GSRRIPK1 | |
| Nitric Acid SCHEMBL1993584 | 0.74 | ALDH1A1 (0.41) | ALDH1A1KDM4EAOC3GSRRIPK1 | |
| SCHEMBL13271383 | 0.74 | GSR (0.41) | ALDH1A1KDM4EGSRRIPK1 | |
| SCHEMBL9636037 | 0.73 | GSR (0.44) | ALDH1A1KDM4EAOC3GSRLMNA | |
| SCHEMBL28709505 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL29446605 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL4443813 | 0.73 | KMT2A (0.47) | ALDH1A1KDM4EGSRSMN1; SMN2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180169072-A1 | SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME LLC | 2018-06-21 | — | — | US | disclosed |
| US-20170275301-A1 | Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof | HELSINN HEALTHCARE SA (CH) | 2017-09-28 | — | — | US | disclosed |
| US-20170275301-A1 | Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof | HELSINN HEALTHCARE SA (CH) | 2017-09-28 | — | — | US | disclosed |
| WO-2017162390-A1 | BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF | HELSINN HEALTHCARE SA (CH) | 2017-09-28 | — | — | WO | disclosed |
| WO-2017000277-A1 | SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-01-05 | — | — | WO | disclosed |
| WO-2017003894-A1 | SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-01-05 | — | — | WO | disclosed |
| EP-2097384-B1 | INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS | ASTRAZENECA AB (SE) | 2012-09-12 | — | — | EP | disclosed |
| US-20120065173-A1 | CHEMICAL COMPOUNDS | BERGER MARKUS (DE) | 2012-03-15 | — | — | US | disclosed |
| US-8030340-B2 | Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease | ASTRAZENECA AB (SE) | 2011-10-04 | — | — | US | disclosed |
| EP-2097384-A1 | INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS | AstraZeneca AB (SE) | 2009-09-09 | — | — | EP | disclosed |
| US-20080207721-A1 | Chemical compounds | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-08-28 | — | — | US | disclosed |
| WO-2008063116-A1 | INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS | ASTRAZENECA AB (SE) | 2008-05-29 | — | — | WO | disclosed |
| WO-2005073389-A1 | METHOD FOR PRODUCING β-HYDROXY NITRO COMPOUNDS MADE FROM ALDEHYDES AND NITROALKANES WHILE USING A HYDROXY NITRILE LYASE | ANGEWANDTE BIOKATALYSE-KOMPETENZZENTRUM GMBH (AT) | 2005-08-11 | — | — | WO | 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 (4 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-20180169072-A1 | SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS | PDE2A, PDE3A, PDE4D | ALDH1A1 1376/4885KDM4E 2962/4885AOC3 1117/4885 |
| US-20080207721-A1 | Chemical compounds | NR3C1, NR3C2, MC2R | ALDH1A1 640/4885KDM4E 3800/4885AOC3 2849/4885 |
| US-20170275301-A1 | Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof | UTS2R, GHSR, GRPR | ALDH1A1 3527/4885KDM4E 2285/4885AOC3 2298/4885 |
| US-20120065173-A1 | CHEMICAL COMPOUNDS | NR3C1, NR3C2, MC2R | ALDH1A1 635/4885KDM4E 3844/4885AOC3 2793/4885 |
“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.