Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KIT | P10721 | 7/20 | 0.45 |
| ▸ | ABL1 | P00519 | 3/20 | 0.45 |
| ▸ | ABL2 | P42684 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | BRAF | P15056 | 2/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20214361 | 1.00 | NR1H2 (0.63) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL24534055 | 0.79 | NR1H2 (0.51) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL29493475 | 0.77 | NR1H2 (1.00) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL273351 | 0.77 | NR1H2 (1.00) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL24534127 | 0.77 | NR1H2 (0.49) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL17593244 | 0.76 | NR1H2 (0.64) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL22165520 | 0.75 | PIK3CA (0.43) | NR1H2ALDH1A1CDK2 | |
| SCHEMBL21465752 | 0.75 | NR1H2 (0.59) | NR1H2KDM4EALDH1A1POLBKIT | |
| SCHEMBL24534052 | 0.74 | CNR2 (0.54) | NR1H2KITABL1EGFRBRAF | |
| SCHEMBL18753652 | 0.74 | ALDH1A1 (0.58) | NR1H2KDM4EALDH1A1POLBKIT |
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-4263521-A1 | PYRAZOLE DERIVATIVES AS C-ABL INHIBITORS | BenevolentAI Bio Limited (GB) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022129915-A1 | PYRAZOLE DERIVATIVES AS C-ABL INHIBITORS | BENEVOLENTAI BIO LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |