Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.43 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
| ▸ | SKP1 | P63208 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | DTYMK | P23919 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 2-Aminopyridine SCHEMBL28443400 | 0.87 | GPR119 (0.55) | GPR119MAPK1POLBGRM5SMARCA2 | |
| 2-Picolinic Acid SCHEMBL28101337 | 0.84 | GPR119 (0.52) | GPR119MAPK1POLBGRM5KIT | |
| SCHEMBL28863731 | 0.83 | GPR119 (0.51) | GPR119MAPK1POLBGRM5KIT | |
| 2-Pyridinecarboxaldehyde SCHEMBL6182995 | 0.83 | GPR119 (0.51) | GPR119MAPK1POLBGRM5KIT | |
| SCHEMBL28241913 | 0.81 | MAPK1 (0.50) | GPR119MAPK1POLBGRM5CKS1B | |
| Pyridine SCHEMBL28276860 | 0.80 | MAPK1 (0.49) | GPR119MAPK1POLBGRM5 | |
| Benzene SCHEMBL29155321 | 0.79 | USP2 (0.53) | GPR119MAPK1POLBCKS1BSKP1 | |
| SCHEMBL30826958 | 0.79 | USP2 (0.56) | GPR119MAPK1 | |
| Methyl Alcohol SCHEMBL28769289 | 0.79 | USP2 (0.56) | GPR119MAPK1 | |
| SCHEMBL587550 | 0.78 | USP2 (0.58) | GPR119MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111333627-A | Substituted 2-hydro-pyrazole derivatives as anti-cancer agents | 正大天晴药业集团股份有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-107428731-B | Substituted 2-hydro-pyrazole derivatives as anti-cancer agents | 正大天晴药业集团股份有限公司 | 2020-05-05 | — | — | CN | disclosed |