Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.57 |
| ▸ | HTR2C | P28335 | 6/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8948079 | 0.90 | HTR2A (0.62) | HTR1AHTR2CHTR2AKDM4ECYP1A2 | |
| SCHEMBL8947962 | 0.90 | KCNH2 (0.57) | HTR1AHTR2CHTR2AKDM4ECYP1A2 | |
| SCHEMBL8948008 | 0.88 | HTR1A (0.57) | HTR1AHTR2CHTR2AKDM4ECYP1A2 | |
| SCHEMBL8958326 | 0.84 | SIGMAR1 (0.67) | HTR1AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8948202 | 0.83 | HTR2C (0.67) | HTR1AHTR2CHTR2AKDM4ECYP1A2 | |
| SCHEMBL8110695 | 0.83 | SIGMAR1 (0.67) | HTR1AHTR2CSIGMAR1 | |
| SCHEMBL8947955 | 0.82 | HTR2A (0.55) | HTR1AHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL7368435 | 0.79 | HTR2A (0.83) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8947912 | 0.79 | HTR1A (0.85) | HTR1AHTR2CHTR2ASIGMAR1 | |
| SCHEMBL8947787 | 0.77 | SIGMAR1 (0.58) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 |
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-5534517-A | (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression | ADIR ET COMPAGNIE (FR) | 1996-07-09 | — | — | US | disclosed |
| US-5387586-A | Analgesics, nervous system disorders | ADIR ET COMPAGNIE (FR) | 1995-02-07 | — | — | US | disclosed |
| EP-0613898-A1 | Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-09-07 | — | — | EP | disclosed |