Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8948074 | 0.90 | HTR1A (0.53) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8947933 | 0.89 | HTR1A (0.66) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8948013 | 0.89 | HTR1A (0.56) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8947985 | 0.88 | KDM4E (0.58) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8947779 | 0.86 | KDM4E (0.54) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8947998 | 0.84 | HTR2A (0.46) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8948078 | 0.84 | HTR2A (0.55) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8947762 | 0.84 | HTR1A (0.66) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 | |
| SCHEMBL8948192 | 0.83 | HTR1A (0.65) | HTR2AHTR1AHTR2CHTR7 | |
| SCHEMBL7765360 | 0.83 | HTR2A (0.47) | CYP1A2CYP3A4HTR2AKDM4ECYP2D6 |
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 2 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 |
| 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 |