Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21463944 | 1.00 | TNKS (0.44) | TNKSDAOITGB1ITGAVCYP2C9 | |
| SCHEMBL30615429 | 0.91 | TNKS (0.44) | TNKSCYP2C9KDM4EALDH1A1HPGD | |
| SCHEMBL16657399 | 0.91 | TNKS (0.44) | TNKSCYP2C9KDM4EALDH1A1HPGD | |
| SCHEMBL15551636 | 0.79 | CYP2C9 (0.51) | TNKSCYP2C9KDM4EALDH1A1HPGD | |
| SCHEMBL1699090 | 0.79 | DAO (0.62) | TNKSDAOALDH1A1LMNAKMT2A | |
| SCHEMBL21464054 | 0.79 | PRKCQ (0.48) | DAOALDH1A1MAP3K11GRIN1GRIN2B | |
| SCHEMBL30615537 | 0.79 | PRKCQ (0.48) | DAOALDH1A1MAP3K11GRIN1GRIN2B | |
| SCHEMBL21463356 | 0.76 | ACHE (0.44) | TNKSDAOKDM4EALDH1A1HPGD | |
| SCHEMBL30615464 | 0.76 | PDE4B (0.48) | DAOCYP2C9KDM4EALDH1A1HPGD | |
| SCHEMBL30615539 | 0.76 | ACHE (0.44) | TNKSDAOKDM4EALDH1A1HPGD |
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-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |