Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.69 |
| ▸ | DRD3 | P35462 | 2/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.69 |
| ▸ | DRD1 | P21728 | 1/20 | 0.69 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.69 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12318512 | 0.87 | HTR1A (0.65) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| SCHEMBL7552261 | 0.85 | HTR1A (0.73) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| SCHEMBL7557595 | 0.85 | HTR1A (0.69) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| SCHEMBL6606413 | 0.82 | HTR1A (0.74) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| SCHEMBL7587470 | 0.82 | HTR1A (0.74) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| Flibanserin SCHEMBL30249132 | 0.82 | HTR1A (1.00) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| Flibanserin SCHEMBL29399513 | 0.82 | HTR1A (1.00) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| Flibanserin SCHEMBL247579 | 0.82 | HTR1A (1.00) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| Flibanserin SCHEMBL19743151 | 0.81 | HTR1A (0.98) | HTR1AADRA2ADRD3ABCB11ADORA3 | |
| Flibanserin SCHEMBL2526226 | 0.81 | HTR1A (0.98) | HTR1AADRA2ADRD3ABCB11ADORA3 |
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-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 |