Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11130129 | 0.85 | CES2 (0.43) | CES2CES1KDM1ASLC6A2SLC6A3 | |
| SCHEMBL4670554 | 0.85 | CES2 (0.45) | CES2CES1NPC1RAB9ASLC6A2 | |
| SCHEMBL4672728 | 0.78 | MAOB (0.38) | CES2CES1RAB9ASLC6A2SLC6A3 | |
| SCHEMBL4670634 | 0.75 | RAB9A (0.40) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL4676042 | 0.74 | CHRNA7 (0.40) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL4673078 | 0.74 | CES2 (0.42) | CES2CES1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL1729357 | 0.72 | RXFP1 (0.37) | RAB9ASLC6A2SLC6A3KMT2ASLC6A4 | |
| SCHEMBL4674063 | 0.72 | SLC6A2 (0.40) | NPC1RAB9ASLC6A2SLC6A3MEN1 | |
| SCHEMBL9851969 | 0.69 | HTR3E (0.55) | CES2CES1SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL20475037 | 0.69 | TP53 (0.41) | CES2CES1NPC1RAB9AALDH1A1 |
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-1899324-A2 | BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | Theravance, Inc. (US) | 2008-03-19 | — | — | EP | claimed |
| WO-2006127815-A2 | BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-11-30 | — | — | WO | claimed |
| EP-1899324-A2 | BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | Theravance, Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006127815-A2 | BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-11-30 | — | — | WO | disclosed |