Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 8/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | RPA1 | P27694 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9040225 | 0.74 | CNR1 (0.42) | CNR1CYP1A2MYCALDH1A1 | |
| SCHEMBL25137230 | 0.73 | CNR1 (0.39) | CNR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9074662 | 0.70 | CNR1 (0.44) | CNR1CYP1A2NPSR1HPGDALDH1A1 | |
| SCHEMBL4860502 | 0.69 | ALOX5 (0.43) | CNR1CYP2C9HPGDMYCALDH1A1 | |
| SCHEMBL4466643 | 0.69 | CNR1 (0.44) | CNR1LDHAALDH1A1 | |
| SCHEMBL6679648 | 0.69 | MYC (0.55) | LDHACYP3A4CYP2C9HTTL3MBTL1 | |
| SCHEMBL4862066 | 0.69 | CNR1 (0.40) | CNR1CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6226020 | 0.68 | CNR1 (0.64) | CNR1LDHAMYCALDH1A1 | |
| SCHEMBL5982862 | 0.68 | CNR1 (0.33) | CNR1NPSR1 | |
| SCHEMBL8285530 | 0.68 | CNR1 (0.44) | CNR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697394-A2 | COMT INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058228-A2 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |