Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
| ▸ | GAS6 | Q14393 | 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 | |
|---|---|---|---|---|
| SCHEMBL16664911 | 0.85 | FAAH (0.43) | CYP1A2TSHRCYP2C19CYP3A4ALOX15 | |
| SCHEMBL16664949 | 0.85 | FLT3 (0.39) | CYP1A2TSHRCYP2C19CYP3A4ALOX15 | |
| SCHEMBL28074525 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRCYP2C19CYP3A4ALOX15 | |
| SCHEMBL16664979 | 0.79 | FAAH (0.39) | CYP1A2TSHRCYP2C19CYP3A4ALOX15 | |
| SCHEMBL16665010 | 0.79 | FAAH (0.41) | CYP1A2CYP2C19CYP3A4HSD17B10KDM4E | |
| SCHEMBL18627048 | 0.77 | ABL1 (0.44) | CYP1A2TSHRCYP2C19CYP3A4ALOX15 | |
| SCHEMBL16664919 | 0.75 | PIK3CA (0.44) | CYP1A2CYP2C19CYP3A4ALOX15HSD17B10 | |
| SCHEMBL15343048 | 0.75 | KDM4E (0.47) | CYP1A2CYP2C19CYP3A4HSD17B10KDM4E | |
| SCHEMBL16664969 | 0.75 | KDM4E (0.47) | CYP1A2CYP2C19CYP3A4HSD17B10KDM4E | |
| SCHEMBL18902711 | 0.75 | CYP1A2 (0.53) | CYP1A2TSHRCYP2C19CYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |