Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.45 |
| ▸ | CIT | O14578 | 3/20 | 0.40 |
| ▸ | RHEB | Q15382 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.38 |
| ▸ | PRKCI | P41743 | 2/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | CCNK | O75909 | 2/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL20197303 | 0.86 | CYP1A2 (0.32) | NUDT1RPS6KA3 | |
| SCHEMBL20197271 | 0.84 | MEN1 (0.39) | RHEBABL1BCRKDRCYP19A1 | |
| SCHEMBL16535266 | 0.83 | NUDT1 (0.43) | NUDT1CITRHEBABL1BCR | |
| SCHEMBL20197336 | 0.80 | CYP19A1 (0.46) | CYP19A1 | |
| SCHEMBL20197228 | 0.79 | CYP1A1 (0.42) | CYP19A1 | |
| SCHEMBL20197355 | 0.78 | MEN1 (0.53) | — | |
| SCHEMBL20197440 | 0.78 | KDM4E (0.36) | CYP19A1 | |
| SCHEMBL20197249 | 0.78 | SREBF2 (0.43) | — | |
| SCHEMBL20197221 | 0.78 | SREBF2 (0.55) | — | |
| SCHEMBL20197302 | 0.78 | SMN1; SMN2 (0.46) | CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |