Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 6/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1431432 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL1431431 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL429795 | 0.79 | — | — | |
| SCHEMBL29881202 | 0.79 | — | — | |
| SCHEMBL3920837 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL3920843 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL18255046 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL18255045 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL21421414 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL30547545 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TRPA1LMNAALOX5MAPK1 |
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-113767092-B | Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine | 劲方医药科技(上海)有限公司 | 2024-07-16 | — | — | CN | disclosed |