Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 2/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MDM4 | O15151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727228 | 0.80 | ROCK2 (0.49) | ROCK2GABRA1GABRB2RXRARXRB | |
| SCHEMBL29899326 | 0.80 | ROCK2 (0.43) | ROCK2GABRA1GABRB2RXRARXRB | |
| Phosphine SCHEMBL27043067 | 0.79 | ROCK2 (0.48) | ROCK2GABRA1GABRB2RXRARXRB | |
| SCHEMBL29424818 | 0.79 | ROCK2 (0.48) | ROCK2GABRA1GABRB2RXRARXRB | |
| SCHEMBL30869371 | 0.76 | ROCK2 (0.50) | ROCK2GABRA1GABRB2RXRARXRB | |
| Carbimide SCHEMBL27867638 | 0.74 | ROCK2 (0.44) | ROCK2GABRA1GABRB2RXRARXRB | |
| SCHEMBL29690848 | 0.73 | ROCK2 (0.36) | ROCK2GABRA1GABRB2FABP3FABP4 | |
| SCHEMBL30762275 | 0.73 | RXRA (0.48) | ROCK2GABRA1RXRARXRBFABP3 | |
| SCHEMBL24524266 | 0.71 | ROCK2 (0.41) | ROCK2GABRA1GABRB2FABP3FABP4 | |
| SCHEMBL25766408 | 0.71 | ROCK2 (0.41) | ROCK2GABRA1GABRB2FABP3FABP4 |
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-2024051755-A1 | KIF18A INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF | 长春金赛药业有限责任公司 | 2024-03-14 | — | — | WO | disclosed |