Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL732444 | 0.85 | CHRNB2 (0.59) | AURKACDK4CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL30199895 | 0.85 | CHRNB2 (0.59) | AURKACDK4CHRNB2CHRNA4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28787385 | 0.83 | CHRNB2 (0.57) | AURKACDK4CHRNB2CHRNA4ALDH1A1 | |
| Pyridine SCHEMBL28293022 | 0.80 | GAA (0.47) | ADRA2CPIK3CAMTORALDH1A1CYP1A2 | |
| SCHEMBL6352765 | 0.79 | CHRNB2 (0.61) | AURKACDK4CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL5655570 | 0.79 | CHRNB2 (0.61) | AURKACDK4CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL20991126 | 0.77 | HRH3 (0.52) | CHRNB2CHRNA4 | |
| SCHEMBL23432691 | 0.76 | CHRNB2 (0.56) | CHRNB2CHRNA4ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL521324 | 0.74 | MAPT (0.58) | ADRA2CPIK3CAMTORALDH1A1 | |
| SCHEMBL29664444 | 0.74 | MAPT (0.58) | ADRA2CPIK3CAMTORALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109789143-A | Antiproliferative based on pyrimidine | G1治疗公司 | 2019-05-21 | — | — | CN | disclosed |