Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 10/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29988790 | 0.82 | TDO2 (0.49) | CYP11B1CYP11B2TDO2CYP1A2CYP2E1 | |
| SCHEMBL3421743 | 0.82 | TDO2 (0.49) | CYP11B1CYP11B2TDO2CYP1A2CYP2E1 | |
| SCHEMBL2156027 | 0.80 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL15512381 | 0.78 | CYP11B1 (0.43) | CYP11B1CYP11B2CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL19059572 | 0.74 | CYP17A1 (0.46) | CYP11B1CYP11B2TDO2CYP1A2CYP2E1 | |
| SCHEMBL12811651 | 0.72 | CYP1A2 (0.51) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22941636 | 0.71 | CYP11B1 (0.41) | CYP11B1CYP11B2TDO2CYP1A2CYP2E1 | |
| SCHEMBL1372192 | 0.70 | TSHR (0.41) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14900842 | 0.70 | CYP11B1 (0.51) | CYP11B1CYP11B2CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL15784053 | 0.69 | LCK (0.46) | CYP11B1CYP11B2TDO2CYP1A2CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1179156-A | Indole derivatives as 5-HT receptor antagonists | SMITHKINE BEECHAM PLC (GB) | 1998-04-15 | — | — | CN | disclosed |