Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.38 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23529791 | 1.00 | CYP1A2 (0.59) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL22208429 | 0.85 | CYP1A2 (0.70) | CYP1A2TSHRALDH1A1TDP1GPR35 | |
| SCHEMBL30954158 | 0.82 | CYP1A2 (0.56) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL29156239 | 0.80 | CYP1A2 (0.53) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL7209289 | 0.79 | ALDH1A1 (0.47) | TSHRALDH1A1TDP1MAPK1PDE7A | |
| SCHEMBL8536360 | 0.79 | TSHR (0.61) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL20576955 | 0.77 | CYP1A2 (0.53) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL30915596 | 0.77 | CYP1A2 (0.53) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL11056346 | 0.76 | TSHR (0.55) | CYP1A2TSHRALDH1A1TDP1MAPK1 | |
| SCHEMBL17744644 | 0.75 | GPR35 (0.52) | CYP1A2ALDH1A1TDP1MAPK1GPR35 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122010905-A | Pyrazolyl derivatives as anticancer agents | 诺华股份有限公司 | 2026-05-12 | — | — | CN | disclosed |
| CN-117425649-A | Pyrazole derivatives as KRAS mutein inhibitors | 诺华股份有限公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-114929342-A | Pyrazolyl derivatives as anticancer agents | 诺华股份有限公司 | 2022-08-19 | — | — | CN | disclosed |