Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7953808 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL15516567 | 0.72 | CYP2A6 (0.45) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL16809199 | 0.71 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL12326901 | 0.70 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL9958037 | 0.70 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL2665898 | 0.70 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL12326409 | 0.70 | AKR1C3 (0.57) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL15949704 | 0.70 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL2650329 | 0.70 | NPC1 (0.59) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL21295682 | 0.69 | CYP2A6 (0.41) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1151147-C | Indole derivatives as 5 -HT receptor antagonist | ʷ��˿�������ȳ�ķ����˾ | 2004-05-26 | — | — | CN | disclosed |
| US-6235758-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-22 | — | — | US | disclosed |
| EP-0808312-B1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 2000-11-02 | — | — | EP | disclosed |
| US-5990133-A | TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-11-23 | — | — | US | disclosed |
| CN-1179156-A | Indole derivatives as 5-HT receptor antagonists | SMITHKINE BEECHAM PLC (GB) | 1998-04-15 | — | — | CN | disclosed |