Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8262170 | 0.78 | CYP3A4 (0.45) | MAPK14CYP19A1POLBNPC1RAB9A | |
| SCHEMBL8266914 | 0.76 | F2 (0.42) | MAPK14CYP19A1NPC1RAB9AALDH1A1 | |
| SCHEMBL8337902 | 0.72 | CYP2A6 (0.49) | MAPK14CYP19A1ALDH1A1CYP3A4CYP2E1 | |
| SCHEMBL8135431 | 0.72 | ADH5 (0.67) | MAPK14CA12CA1CA9 | |
| SCHEMBL14490257 | 0.71 | CYP2A6 (0.43) | MAPK14POLBALDH1A1KDM4ECYP3A4 | |
| SCHEMBL29683214 | 0.70 | BCHE (0.43) | MAPK14CYP19A1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL8306334 | 0.70 | MAPK14 (0.47) | MAPK14ALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL21382266 | 0.70 | HTT (0.47) | ALKBH5TSHRPOLBNPC1RAB9A | |
| SCHEMBL77918 | 0.69 | MAPT (0.48) | MAPK14TSHRCYP19A1ALDH1A1KDM4E | |
| SCHEMBL10018485 | 0.69 | CYP19A1 (0.37) | ALKBH5TSHRCYP19A1POLBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6100272-A | Tetracyclic spiro compounds as 5HT1B receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-08-08 | — | — | US | disclosed |
| EP-0888358-A1 | PIPERIDINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034901-A1 | PIPERIDINE DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 1997-09-25 | — | — | WO | disclosed |