Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15071461 | 0.85 | ALDH1A1 (0.53) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18107706 | 0.84 | SLC6A4 (0.45) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL68224 | 0.81 | ALOX15 (0.54) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL23645841 | 0.80 | ALDH1A1 (0.56) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8821719 | 0.80 | CA12 (0.60) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11593064 | 0.79 | MEN1 (0.52) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7667121 | 0.79 | ALDH1A1 (0.51) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11674343 | 0.79 | EGFR (0.60) | ALDH1A1PKMHPGDMAPTMAPK1 | |
| SCHEMBL18719608 | 0.79 | SLC6A4 (0.47) | ALDH1A1PKMCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6911962 | 0.78 | SLC6A4 (0.46) | ALDH1A1MEN1KMT2AHTTMAPT |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10188627-B2 | PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof | MITOBRIDGE, INC. (US) | 2019-01-29 | — | — | US | disclosed |
| US-10188627-B2 | PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof | MITOBRIDGE, INC. (US) | 2019-01-29 | — | — | US | disclosed |
| US-20170304255-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES | 2017-10-26 | — | — | US | disclosed |
| US-20170304255-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES | 2017-10-26 | — | — | US | disclosed |
| US-20170304255-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES | 2017-10-26 | — | — | US | disclosed |
| US-9382288-B2 | Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action | JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) | 2016-07-05 | — | — | US | disclosed |
| WO-2016057660-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | MITOBRIDGE, INC. (US) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016057660-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | MITOBRIDGE, INC. (US) | 2016-04-14 | — | — | WO | disclosed |
| US-20130266645-A1 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) | 2013-10-10 | — | — | US | disclosed |
| US-20100256122-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-07 | — | — | US | disclosed |
| US-7767666-B2 | Butyl and butynyl benzyl amine compounds | JANSSEN PHARMACEUTICA NV (BE) | 2010-08-03 | — | — | US | disclosed |
| CN-101511775-A | Butyl and butynyl benzyl amine compounds | JANSSEN PHARMACEUTICA NV (BE) | 2009-08-19 | — | — | CN | disclosed |
| EP-2049466-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-22 | — | — | EP | disclosed |
| US-20080004258-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-03 | — | — | US | disclosed |
| WO-2008002817-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-03 | — | — | 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 (5 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-20080004258-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | HRH3, HNMT, HRH4 | ALDH1A1 2307/4885PKM 3244/4885CYP1A2 1371/4885 |
| US-20100256122-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | HRH3, HNMT, HRH4 | ALDH1A1 2307/4885PKM 3244/4885CYP1A2 1371/4885 |
| US-10188627-B2 | PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof | PPARG, PPARD, PPARA | ALDH1A1 991/4885PKM 387/4885CYP1A2 798/4885 |
| US-20130266645-A1 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | HSD17B7, CYP21A2, CYP17A1 | ALDH1A1 1945/4885PKM 945/4885CYP1A2 91/4885 |
| US-20170304255-A1 | PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | PPARG, PPARD, PPARA | ALDH1A1 991/4885PKM 387/4885CYP1A2 798/4885 |
“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.