Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7953768 | 0.92 | CYP2A6 (0.65) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL9957709 | 0.91 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL12068188 | 0.86 | CYP2A6 (0.68) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL12070033 | 0.86 | CYP2A6 (0.68) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL19817613 | 0.84 | CYP2A6 (0.65) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL9958311 | 0.84 | NOTUM (0.65) | MKNK1PIK3CANOTUMKIF11KDM4E | |
| SCHEMBL29626674 | 0.84 | CYP2A6 (0.79) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL5924678 | 0.84 | MAPT (0.58) | DYRK1ANOTUMKIF11LMNATP53 | |
| SCHEMBL320526 | 0.84 | CYP2A6 (0.79) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 | |
| SCHEMBL24492814 | 0.82 | CYP2A6 (0.62) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2 |
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 |