Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15950989 | 0.77 | COMT (0.60) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL30060833 | 0.72 | CYP1A2 (0.46) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL16826278 | 0.71 | CYP3A4 (0.53) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL16877063 | 0.69 | HSP90AA1 (0.46) | COMTALDH1A1MAPTKDM4ENPC1 | |
| SCHEMBL31148179 | 0.68 | COMT (0.43) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL308138 | 0.67 | — | — | |
| SCHEMBL18985917 | 0.67 | PIK3CD (0.55) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL18518468 | 0.67 | PIK3CD (0.48) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL19462917 | 0.66 | ALDH1A1 (0.41) | COMTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL17796572 | 0.66 | CYP1A2 (0.47) | COMTPIK3CDPIK3CAPIK3CBPI4KA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117304130-A | MCL-1 inhibitors | 吉利德科学公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-112118845-B | MCL-1 inhibitors | 吉利德科学公司 | 2023-06-13 | — | — | CN | disclosed |