Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982321 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL5989140 | 0.82 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2883779 | 0.82 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2882585 | 0.82 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL3947551 | 0.82 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2887116 | 0.82 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL2882586 | 0.82 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9742504 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL13476208 | 0.78 | MAPT (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL14765557 | 0.78 | KCNH2 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0214818-A2 | Active compounds | BEECHAM GROUP PLC (GB) | 1987-03-18 | — | — | EP | claimed |
| EP-0214818-B1 | ACTIVE COMPOUNDS | BEECHAM GROUP PLC (GB) | 1990-06-20 | — | — | EP | disclosed |
| US-4782083-A | 3,4-dihydro-2H-1-benzopyrans useful as anti-hypertensive agents | BEECHAM GROUP P.L.C. (GB) | 1988-11-01 | — | — | US | disclosed |
| EP-0214818-A2 | Active compounds | BEECHAM GROUP PLC (GB) | 1987-03-18 | — | — | EP | disclosed |