Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9230638 | 0.97 | CYP2D6 (0.49) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL8711071 | 0.91 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL8710751 | 0.90 | HTR2A (0.51) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL9226598 | 0.89 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL9231040 | 0.89 | HTR2A (0.52) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL8712283 | 0.88 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL8716541 | 0.88 | HTR2A (0.51) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL9230658 | 0.88 | HTR2A (0.51) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL8711129 | 0.88 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A | |
| SCHEMBL8712309 | 0.88 | CYP2D6 (0.47) | CYP2D6CYP2C19CYP3A4HTR1AADRA1A |
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 |