Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.74 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.74 |
| ▸ | DRD1 | P21728 | 1/20 | 0.74 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.74 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.74 |
| ▸ | DRD3 | P35462 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | DRD2 | P14416 | 5/20 | 0.58 |
| ▸ | HTR2A | P28223 | 4/20 | 0.53 |
| ▸ | HTR7 | P34969 | 4/20 | 0.53 |
| ▸ | HTR2C | P28335 | 3/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128738 | 0.95 | HTR1A (0.66) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL6606413 | 0.93 | HTR1A (0.74) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL9541502 | 0.91 | HTR1A (0.71) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL12918758 | 0.88 | HTR1A (0.69) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL960139 | 0.86 | HTR1A (0.78) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL247579 | 0.85 | HTR1A (1.00) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL30249132 | 0.85 | HTR1A (1.00) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL29399513 | 0.85 | HTR1A (1.00) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL563586 | 0.84 | HTR1A (0.98) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL19743151 | 0.84 | HTR1A (0.98) | HTR1AABCB11ADRA2AADORA3CHRM1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218352-A1 | BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY | BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) | 2002-07-03 | — | — | EP | disclosed |
| US-6281218-B1 | USEFUL IN THE TREATMENT OF CNS DISORDERS. | INGELHEIM ITALIA S.P.A. (IT) | 2001-08-28 | — | — | US | disclosed |
| WO-2001021593-A1 | NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY | BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) | 2001-03-29 | — | — | WO | disclosed |
| EP-0526434-B1 | Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists | BOEHRINGER INGELHEIM ITALIA (IT) | 2000-04-19 | — | — | EP | disclosed |
| US-5576318-A | FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) | 1996-11-19 | — | — | US | disclosed |
| WO-1993003016-A1 | BENZIMIDAZOLONE DERIVATIVES AS 5-HT1A AND 5-HT2 ANTAGONISTS | BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) | 1993-02-18 | — | — | WO | disclosed |
| EP-0526434-A1 | Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists | BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) | 1993-02-03 | — | — | EP | disclosed |