Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.41 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.36 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28734414 | 1.00 | TGFBR1 (0.41) | TGFBR1TGFBR2NUDT1OPRM1OPRL1 | |
| SCHEMBL28734418 | 0.87 | PIK3CD (0.36) | TGFBR1TGFBR2NUDT1ROCK2ROCK1 | |
| SCHEMBL29722165 | 0.87 | PIK3CD (0.36) | TGFBR1TGFBR2NUDT1ROCK2ROCK1 | |
| SCHEMBL29722159 | 0.85 | TGFBR1 (0.36) | TGFBR1TGFBR2STK4 | |
| SCHEMBL28734453 | 0.85 | TGFBR1 (0.36) | TGFBR1TGFBR2STK4 | |
| SCHEMBL29721838 | 0.85 | NUDT1 (0.48) | TGFBR1TGFBR2NUDT1OPRM1OPRL1 | |
| SCHEMBL28734403 | 0.85 | NUDT1 (0.48) | TGFBR1TGFBR2NUDT1OPRM1OPRL1 | |
| SCHEMBL29722244 | 0.80 | NUDT1 (0.57) | TGFBR1TGFBR2NUDT1OPRM1OPRL1 | |
| SCHEMBL28939330 | 0.80 | NUDT1 (0.57) | TGFBR1TGFBR2NUDT1OPRM1OPRL1 | |
| SCHEMBL29722438 | 0.79 | NUDT1 (0.56) | TGFBR1TGFBR2NUDT1AURKAAURKB |
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-114380845-A | Heterocyclic-fused compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-04-22 | — | — | CN | disclosed |