Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 5/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29280295 | 1.00 | HSD17B10 (0.52) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL2478471 | 0.78 | JAK2 (0.53) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL14911424 | 0.78 | NOS1 (0.56) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL1009329 | 0.78 | HSD17B10 (0.52) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL14914636 | 0.78 | PARP1 (0.52) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL11412580 | 0.78 | ALDH1A1 (0.52) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL28861461 | 0.75 | ALDH1A1 (0.49) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL4288992 | 0.74 | ALDH1A1 (0.67) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL25269025 | 0.74 | HSD17B10 (0.47) | HSD17B10ALDH1A1TDP1PARP1PRKCI | |
| SCHEMBL11883656 | 0.74 | PLK4 (0.49) | HSD17B10ALDH1A1TDP1PARP1PRKCI |
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-117730075-A | Pyrazole derivative, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2024-03-19 | — | — | CN | disclosed |