Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8710975 | 0.89 | KMT2A (0.48) | CYP2D6CYP2C19HTR2AHSD11B1KDM4E | |
| SCHEMBL8711071 | 0.89 | CYP2D6 (0.52) | CYP2D6CYP2C19HTR2AHSD11B1KDM4E | |
| SCHEMBL8713822 | 0.88 | HTR2A (0.51) | CYP2D6CYP2C19HTR2AHSD11B1KDM4E | |
| Fumaric Acid SCHEMBL8711175 | 0.85 | SMN1; SMN2 (0.46) | CYP2D6CYP2C19HTR2AKDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL8711179 | 0.85 | SMN1; SMN2 (0.46) | CYP2D6CYP2C19HTR2AKDM4ECYP1A2 | |
| Fumaric Acid SCHEMBL9230570 | 0.84 | CYP2D6 (0.48) | CYP2D6CYP2C19HTR2AHSD11B1KDM4E | |
| Fumaric Acid SCHEMBL9230577 | 0.84 | CYP2D6 (0.48) | CYP2D6CYP2C19HTR2AHSD11B1KDM4E | |
| SCHEMBL9230053 | 0.83 | HTR2A (0.48) | CYP2D6CYP2C19HTR2AKDM4ECYP1A2 | |
| SCHEMBL8711222 | 0.83 | HTR2A (0.48) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8710869 | 0.82 | ACHE (0.56) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 |
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-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| WO-1996034851-A1 | BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE | ABBOTT LABORATORIES (US) | 1996-11-07 | — | — | WO | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |