Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | HTR2C | P28335 | 2/20 | 0.67 |
| ▸ | HTR7 | P34969 | 2/20 | 0.67 |
| ▸ | HTR6 | P50406 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL9726195 | 0.96 | HTR2A (0.69) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7328197 | 0.90 | HTR2A (0.72) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8403779 | 0.89 | HTR2A (0.71) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16481601 | 0.88 | HTR2A (0.71) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14318600 | 0.87 | HTR2A (0.81) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL228454 | 0.86 | HTR2A (0.70) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11744859 | 0.86 | KCNH2 (0.55) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7246842 | 0.86 | HTR2A (0.71) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4160545 | 0.86 | HTR2A (0.71) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9534623 | 0.85 | HTR2A (0.68) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4151285-A | ANTICONVULSANT, ANTI-ANXIETY AGENTS | A. H. ROBINS COMPANY, INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4021552-A | TRANQUILIZERS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-05-03 | — | — | US | disclosed |