Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 9/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 9/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 8/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7257140 | 0.78 | CYP1A2 (0.58) | LIMK1CYP1A2CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL7259101 | 0.74 | CYP1A2 (0.40) | CYP1A2CYP2A6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7254285 | 0.74 | CYP2A6 (0.62) | CYP1A2CYP2A6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7259061 | 0.72 | CYP2A6 (0.64) | LIMK1CYP1A2CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL7253763 | 0.70 | RPS6KA3 (0.37) | RPS6KA3CYP1A2CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL7253747 | 0.70 | CYP2A6 (0.54) | LIMK1CYP1A2CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL21105124 | 0.70 | RPS6KA3 (0.60) | RPS6KA3LIMK1CYP1A2CYP2A6CYP2B6 | |
| SCHEMBL3810939 | 0.69 | RPS6KA3 (0.42) | RPS6KA3CYP1A2CYP3A4MAPTTP53 | |
| SCHEMBL31250363 | 0.69 | RPS6KA3 (0.42) | RPS6KA3CYP1A2CYP3A4MAPTTP53 | |
| SCHEMBL1769889 | 0.69 | CYP2A6 (0.45) | RPS6KA3LIMK1CYP1A2CYP2A6CYP2B6 |
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-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |