Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL10473733 | 0.85 | PTGS2 (0.63) | PTGS2CYP3A4 | |
| SCHEMBL10472797 | 0.85 | PTGS2 (0.63) | PTGS2CYP3A4 | |
| SCHEMBL427550 | 0.85 | CYP19A1 (0.55) | PTGS2CYP19A1CALM1AKR1B1ALDH1A1 | |
| SCHEMBL12044476 | 0.83 | PTGS2 (0.43) | PTGS2CYP19A1CALM1AKR1B1ALDH1A1 | |
| SCHEMBL2424239 | 0.82 | TAAR1 (0.55) | CYP19A1MAOBTAAR1 | |
| SCHEMBL10472749 | 0.82 | PTGS2 (0.39) | PTGS2CYP19A1CALM1AKR1B1ALDH1A1 | |
| SCHEMBL18854254 | 0.80 | POLB (0.38) | PTGS2ALDH1A1CYP3A4TAAR1 | |
| SCHEMBL11819334 | 0.80 | IDO1 (0.41) | PTGS2ALDH1A1CYP3A4TAAR1 | |
| SCHEMBL13980912 | 0.79 | PTGS2 (0.50) | PTGS2CYP19A1CALM1AKR1B1ALDH1A1 | |
| SCHEMBL29774677 | 0.79 | ALDH1A1 (0.42) | CYP19A1CALM1AKR1B1ALDH1A1MAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015196335-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | TOCOPHERX, INC. (US) | 2015-12-30 | — | — | WO | disclosed |
| WO-2014058747-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-04-17 | — | — | WO | disclosed |
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | disclosed |