Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | HTR1A | P08908 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 6/20 | 0.57 |
| ▸ | DRD3 | P35462 | 5/20 | 0.57 |
| ▸ | DRD4 | P21917 | 2/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HTR1D | P28221 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8444818 | 0.96 | ALDH1A1 (0.69) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8443054 | 0.94 | HTR1A (0.74) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8445766 | 0.90 | HTR1A (0.77) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8443296 | 0.86 | HTR1A (0.74) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8442303 | 0.86 | HTR1A (0.74) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8442534 | 0.85 | HTR1A (0.80) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8445633 | 0.85 | HTR1A (0.79) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8446122 | 0.84 | DRD2 (0.56) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8444648 | 0.84 | HTR1A (0.71) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8442467 | 0.84 | HTR1A (0.78) | ALDH1A1HTR1AKDM4ECYP1A2CYP3A4 |
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-0395313-B1 | Tertiary alkyl functionalized piperazine derivatives | AMERICAN HOME PROD (US) | 1999-12-15 | — | — | EP | claimed |
| EP-0395312-B1 | Piperazine derivatives | WYETH JOHN & BROTHER LTD (GB) | 1999-05-12 | — | — | EP | claimed |
| US-5382583-A | Hydroxytryptamine antagonists | JOHN WYETH & BROTHER, LIMITED (GB) | 1995-01-17 | — | — | US | claimed |
| EP-0395312-A2 | Piperazine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1990-10-31 | — | — | EP | claimed |