Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7814261 | 0.99 | ACSS2 (0.42) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL7810586 | 0.99 | ACSS2 (0.42) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL7814203 | 0.84 | CCR1 (0.44) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL7814202 | 0.84 | CCR1 (0.44) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL5401829 | 0.84 | BCHE (0.51) | CYP2D6CHRM2CHRM1CHRM3CYP3A4 | |
| SCHEMBL29106959 | 0.77 | KCNN4 (0.41) | MAPTMAPK1LMNAMEN1KMT2A | |
| SCHEMBL21445052 | 0.75 | KCNN4 (0.43) | MAPT | |
| SCHEMBL3460745 | 0.74 | ALDH1A1 (0.40) | CHRM2CHRM1CHRM3TSHRMAPT | |
| SCHEMBL7812043 | 0.71 | ACE (0.41) | — | |
| SCHEMBL20158440 | 0.70 | BCHE (0.62) | MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0794184-B1 | 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME | DAINIPPON PHARMACEUTICAL CO (JP) | 2001-05-30 | — | — | EP | disclosed |
| US-5932568-A | GASTROINTESTINAL DISORDERS | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |
| EP-0794184-A1 | 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1997-09-10 | — | — | EP | disclosed |