Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 14/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5179280 | 0.79 | ITK (0.61) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL25416927 | 0.78 | ITK (0.61) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL2002569 | 0.77 | ITK (0.60) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL8638212 | 0.77 | ITK (0.60) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL2876288 | 0.77 | ITK (0.60) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL5716726 | 0.76 | KDR (0.57) | ITKCYP19A1CYP2A6NPC1RAB9A | |
| SCHEMBL1900577 | 0.75 | ITK (0.54) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL2877412 | 0.74 | ITK (0.53) | ITKCYP19A1GSK3BNPC1RAB9A | |
| SCHEMBL29773795 | 0.73 | TRIM24 (0.61) | NPC1RAB9AABL1 | |
| SCHEMBL2489128 | 0.72 | ITK (0.57) | ITKCYP19A1GSK3BNPC1RAB9A |
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-115151535-A | Heteroaryl heterocyclic compounds and uses thereof | 和记黄埔医药（上海）有限公司 | 2022-10-04 | — | — | CN | disclosed |