Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958037 | 0.84 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL7945424 | 0.80 | ATM (0.34) | CYP2A6AKR1C3AKR1C2ERN1 | |
| SCHEMBL28038294 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL9958408 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL28594337 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL1691864 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL5116498 | 0.77 | BACE1 (0.34) | CYP2A6ALDH1A1CYP1A2NPC1RAB9A | |
| SCHEMBL16720501 | 0.77 | CYP2A6 (0.48) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL7945555 | 0.77 | CYP2A6 (0.45) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL15949704 | 0.76 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1498218-A | Imidazo-pyrimidine derivatives as GABA receptor ligands | Ĭ�ˡ�����-��ķ��˾ | 2004-05-19 | — | — | CN | claimed |
| 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 |