Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | PTGIR | P43119 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8710989 | 0.95 | HTR2A (0.56) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8715993 | 0.91 | HTR2A (0.50) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8713474 | 0.90 | ACHE (0.52) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL9230505 | 0.90 | PTGIR (0.52) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8714782 | 0.90 | OPRM1 (0.53) | HTR2APTGIRHTR2CHTR7HTR6 | |
| SCHEMBL8714300 | 0.89 | HSD11B1 (0.51) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8710951 | 0.89 | SLC18A3 (0.50) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8710887 | 0.89 | HSD11B1 (0.51) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL9233328 | 0.88 | ACHE (0.47) | ACHEHTR2AKDM4ECYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL9233332 | 0.88 | ACHE (0.47) | ACHEHTR2AKDM4ECYP1A2CYP3A4 |
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-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |