Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.35 |
| ▸ | CDK9 | P50750 | 3/20 | 0.35 |
| ▸ | KDR | P35968 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4375735 | 0.92 | CYP1A2 (0.41) | RETCYP1A2CYP2D6LMNACYP3A4 | |
| SCHEMBL1243765 | 0.90 | ALDH1A1 (0.43) | CYP1A2CYP2D6LMNACYP3A4ROCK1 | |
| SCHEMBL1241945 | 0.88 | CYP3A4 (0.41) | CYP1A2CYP2D6LMNACYP3A4ROCK1 | |
| SCHEMBL1243835 | 0.86 | RET (0.39) | RETCYP1A2CYP2D6CYP3A4ROCK1 | |
| SCHEMBL4378388 | 0.86 | GLS (0.41) | RETCYP3A4ROCK1MAPTPIP4K2C | |
| SCHEMBL1244511 | 0.86 | RET (0.41) | RETCYP1A2CYP2D6LMNACYP3A4 | |
| SCHEMBL1244631 | 0.86 | CCNT1 (0.41) | RETCYP3A4ROCK1TSHRMAPT | |
| Trifluoroacetic Acid SCHEMBL1243757 | 0.85 | RET (0.39) | RETCYP1A2CYP2D6CYP3A4ROCK1 | |
| SCHEMBL4375143 | 0.85 | PIP4K2C (0.43) | CYP1A2CYP2D6LMNACYP3A4ALDH1A1 | |
| SCHEMBL16415729 | 0.84 | CYP3A4 (0.41) | CYP1A2CYP2D6LMNACYP3A4ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1763526-B1 | 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS | BAYER SCHERING PHARMA AG (DE) | 2009-06-24 | — | — | EP | claimed |
| CN-112472699-A | Combination methods for improving the therapeutic benefit of bisantrene and derivatives | 种族肿瘤学公司 | 2021-03-12 | — | — | CN | disclosed |