Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6718864 | 0.86 | CYP3A4 (0.57) | CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1 | |
| SCHEMBL13957646 | 0.86 | CYP3A4 (0.57) | CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1 | |
| SCHEMBL8871858 | 0.85 | CYP3A4 (0.59) | CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1 | |
| SCHEMBL1717641 | 0.83 | CYP3A4 (0.56) | CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A | |
| SCHEMBL3099172 | 0.83 | CYP3A4 (0.56) | CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A | |
| SCHEMBL10576319 | 0.81 | ALDH1A1 (0.48) | CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A | |
| SCHEMBL10576326 | 0.81 | ALDH1A1 (0.48) | CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A | |
| SCHEMBL27969667 | 0.79 | ALDH1A1 (0.52) | CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A | |
| SCHEMBL28566695 | 0.79 | CYP3A4 (0.48) | CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1 | |
| SCHEMBL9361284 | 0.78 | TAAR1 (0.56) | CYP3A4ALDH1A1CYP1A2TAAR1SLC6A4 |
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-5872122-A | Pyrimidinylamidino β-amino acid derivatives useful as inhibitors of platelet aggregation | MONSANTO COMPANY (US) | 1999-02-16 | — | — | US | disclosed |