Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25597428 | 0.98 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL7495571 | 0.95 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL28085540 | 0.92 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL14092284 | 0.92 | ALDH1A1 (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL24835914 | 0.86 | CYP2C19 (0.49) | CYP3A4CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL8235638 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| Hydrochloric Acid SCHEMBL1414260 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 | |
| SCHEMBL27255245 | 0.85 | KMT2A (0.50) | CYP3A4CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL23867554 | 0.85 | ALDH1A1 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL21274374 | 0.84 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19ALDH1A1EPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5610153-A | ENZYME INHIBITORS; TREATMENT OF VASCULAR PROLIFERATION DISORDERS, STERILITY DYSFUNCTION, DYSMENORRHEA | CIBA-GEIGY CORPORATION (US) | 1997-03-11 | — | — | US | disclosed |