Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLCN2 | P51788 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17818419 | 0.77 | OPRD1 (0.38) | — | |
| SCHEMBL11024287 | 0.77 | CYP2C9 (0.39) | CLCN2CYP2C9TSHRALDH1A1ALOX15 | |
| SCHEMBL10580245 | 0.77 | CYP2C9 (0.39) | CLCN2CYP2C9TSHRALDH1A1ALOX15 | |
| SCHEMBL9236403 | 0.76 | CYP2C9 (0.41) | CYP2C9TSHRALDH1A1ALOX15MYC | |
| SCHEMBL27316600 | 0.76 | CYP2C9 (0.41) | CYP2C9TSHRALDH1A1ALOX15MYC | |
| SCHEMBL31090033 | 0.74 | CYP1B1 (0.35) | — | |
| SCHEMBL3763119 | 0.71 | CA2 (0.45) | TSHRALDH1A1HPGD | |
| SCHEMBL7636369 | 0.71 | PARP1 (0.43) | CYP2C9ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL6530620 | 0.70 | ALDH1A1 (0.50) | CYP2C9TSHRALDH1A1ALOX15MYC | |
| SCHEMBL11261328 | 0.69 | CTNNB1 (0.39) | CYP2C9KDM4ETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0604494-B1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-07-28 | — | — | EP | disclosed |
| US-5580885-A | FOR TREATMENT OF GASTROINTESTINAL, CARDIOVASCULAR OR NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-12-03 | — | — | US | disclosed |
| EP-0604494-A1 | 5-HT 4? RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993005038-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-03-18 | — | — | WO | disclosed |