Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | DNM2 | P50570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16660238 | 0.85 | ALDH1A1 (0.43) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL16660237 | 0.84 | KDM4E (0.44) | CYP1A2CLK4ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL19905148 | 0.74 | CYP1A2 (0.39) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL19355290 | 0.72 | PRKDC (0.37) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL15356474 | 0.71 | HCAR3 (0.45) | ALDH1A1KDM4EPIK3CANPC1RAB9A | |
| SCHEMBL15356563 | 0.70 | CLK4 (0.39) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL15342936 | 0.69 | PTGDR (0.45) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL15343417 | 0.69 | PIK3CA (0.40) | TSHRHPGDPIK3CAHCAR3PTGDR | |
| SCHEMBL16665022 | 0.68 | CYP1A2 (0.41) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL15343335 | 0.68 | HDAC1 (0.50) | CYP1A2CLK4ALDH1A1HSD17B10CYP2D6 |
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 |