Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 4/20 | 0.49 |
| ▸ | HTR7 | P34969 | 3/20 | 0.49 |
| ▸ | HTR6 | P50406 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9038607 | 0.95 | HTR2A (0.51) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9038892 | 0.87 | HTR2A (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6996176 | 0.85 | DRD2 (0.59) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6997567 | 0.84 | DRD2 (0.58) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9040411 | 0.83 | DRD2 (0.56) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6995041 | 0.83 | DRD2 (0.59) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6995359 | 0.83 | HTR2A (0.50) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9040493 | 0.82 | DRD2 (0.56) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6994896 | 0.82 | HTR2A (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6995139 | 0.82 | HTR2A (0.51) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0915881-B1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LTD (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-6211362-B1 | CHEMICAL INTERMEDIATE FOR DRUGS | SUNTORY LIMITED (JP) | 2001-04-03 | — | — | US | disclosed |
| US-6187772-B1 | Pyrroloazepine compounds | SUNTORY LIMITED (JP) | 2001-02-13 | — | — | US | disclosed |