Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.73 |
| ▸ | SLC18A2 | Q05940 | 5/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | HPGD | P15428 | 3/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | HTR1A | P08908 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | DRD2 | P14416 | 2/20 | 0.73 |
| ▸ | HTR2C | P28335 | 2/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.73 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.73 |
| ▸ | DRD1 | P21728 | 1/20 | 0.73 |
| ▸ | DRD4 | P21917 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL9379765 | 0.89 | HTR2A (0.73) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| SCHEMBL11011733 | 0.85 | HTR2A (0.70) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL29361038 | 0.85 | HTR2A (1.00) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL34294 | 0.85 | HTR2A (1.00) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL4862503 | 0.85 | HTR2A (1.00) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| SCHEMBL8946114 | 0.84 | HTR2A (0.66) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL30028921 | 0.84 | HTR2A (0.98) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL2030457 | 0.84 | HTR2A (0.98) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL1532014 | 0.84 | HTR2A (0.98) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 | |
| Ketanserin SCHEMBL5614705 | 0.82 | HTR2A (0.94) | HTR2ASLC18A2CYP3A4HPGDSLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4522945-A | SEROTONINE ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-11 | — | — | US | disclosed |
| US-4335127-A | POTENT SEROTONIN ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-06-15 | — | — | US | disclosed |
| EP-0013612-A2 | (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-07-23 | — | — | EP | disclosed |