Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 6/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7430001 | 1.00 | MAPK1 (0.41) | MAPK1CYP2A6CYP3A4NPC1RAB9A | |
| SCHEMBL7434057 | 0.87 | MAPK1 (0.45) | MAPK1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL7436678 | 0.81 | CYP2A6 (0.43) | MAPK1CYP2A6CYP3A4NPC1RAB9A | |
| SCHEMBL7430157 | 0.79 | MAPK1 (0.42) | MAPK1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL7333646 | 0.77 | MAPK1 (0.43) | MAPK1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL7495544 | 0.72 | PDGFRB (0.48) | MAPK1CYP2A6CYP3A4KMT2ACYP2E1 | |
| SCHEMBL7424771 | 0.72 | MAPK1 (0.48) | MAPK1CYP2A6CYP3A4KMT2ACYP2E1 | |
| SCHEMBL7437851 | 0.71 | CYP11B1 (0.45) | MAPK1CYP2A6CYP3A4NPC1RAB9A | |
| SCHEMBL9565345 | 0.71 | MAPK1 (0.40) | MAPK1CYP2A6CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL9565372 | 0.70 | MAPK1 (0.49) | MAPK1CYP2A6CYP3A4HSP90AA1HSP90AB1 |
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-5278161-A | Racemic mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-01-11 | — | — | US | disclosed |