Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621282 | 1.00 | NUDT1 (0.44) | NUDT1TRIM58LMNAALDH1A1CYP1A2 | |
| SCHEMBL20392542 | 0.83 | ADORA2A (0.56) | MAP4K4ADORA1ADORA2BADORA2A | |
| SCHEMBL21621173 | 0.83 | TRIM58 (0.45) | TRIM58LMNAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29947028 | 0.83 | TRIM58 (0.45) | TRIM58LMNAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21621174 | 0.81 | ADORA1 (0.46) | ALDH1A1CYP1A2CLK4MAP4K4ADORA1 | |
| SCHEMBL2323756 | 0.77 | ALDH1A1 (0.67) | NUDT1LMNAALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14189293 | 0.76 | MAP4K4 (0.65) | LMNAALDH1A1CYP1A2CYP3A4CLK4 | |
| SCHEMBL22179969 | 0.73 | LMNA (0.43) | LMNACYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL30738512 | 0.73 | LMNA (0.43) | LMNACYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL20392686 | 0.72 | ADORA2A (0.59) | LMNACYP1A2CYP3A4CLK4CYP2D6 |
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-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |