Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FADS1 | O60427 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 5/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12653538 | 0.94 | ADRA2A (0.37) | CYP1A2LMNACYP3A4ADRA2AFADS1 | |
| SCHEMBL801783 | 0.85 | CYP1A2 (0.52) | CYP1A2LMNACYP3A4ADRA2ACYP2C19 | |
| SCHEMBL13081601 | 0.81 | ULK1 (0.34) | ADRA2AULK1MAPK8MAPK9IRAK4 | |
| SCHEMBL12653894 | 0.80 | MAPK8 (0.38) | CYP1A2LMNACYP3A4ADRA2AULK1 | |
| SCHEMBL12653941 | 0.80 | EGFR (0.40) | CYP1A2LMNACYP3A4ADRA2AFADS1 | |
| SCHEMBL802149 | 0.79 | CYP1A2 (0.47) | CYP1A2LMNACYP3A4CYP2C19HSD17B10 | |
| SCHEMBL13962407 | 0.77 | FADS1 (0.37) | CYP1A2LMNACYP3A4ADRA2AFADS1 | |
| SCHEMBL801776 | 0.76 | USP1 (0.49) | CYP1A2LMNACYP3A4CYP2C19HSD17B10 | |
| SCHEMBL13055262 | 0.76 | ULK1 (0.34) | CYP1A2ADRA2AULK1CYP2C19MAPK8 | |
| SCHEMBL13107395 | 0.75 | CYP1A2 (0.47) | CYP1A2LMNACYP3A4CYP2C19FADS1 |
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-7951820-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-31 | — | — | US | disclosed |
| US-7691853-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-06 | — | — | US | disclosed |