Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.48 |
| ▸ | SYK | P43405 | 7/20 | 0.44 |
| ▸ | SRC | P12931 | 4/20 | 0.44 |
| ▸ | ZAP70 | P43403 | 3/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 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 | |
|---|---|---|---|---|
| SCHEMBL29290789 | 0.85 | HSP90AA1 (0.55) | HSP90AA1ASIC3SYKSRCZAP70 | |
| SCHEMBL30252529 | 0.80 | HSP90AA1 (0.56) | HSP90AA1SYKSRCZAP70PDPK1 | |
| SCHEMBL30511083 | 0.79 | — | — | |
| SCHEMBL16440627 | 0.77 | SPR (0.49) | HSP90AA1SYKSRCZAP70PDPK1 | |
| SCHEMBL15668705 | 0.77 | SYK (0.49) | HSP90AA1SYKSRCZAP70PDPK1 | |
| SCHEMBL20911090 | 0.77 | HSP90AA1 (0.49) | HSP90AA1SYKSRCZAP70PDPK1 | |
| SCHEMBL314105 | 0.76 | ASIC3 (0.67) | HSP90AA1ASIC3RAB9AALDH1A1TSHR | |
| SCHEMBL5705089 | 0.74 | HSP90AA1 (0.46) | HSP90AA1PDPK1RAB9ALOXL2ALDH1A1 | |
| SCHEMBL27986436 | 0.74 | KDM5C (0.57) | HSP90AA1SYK | |
| SCHEMBL9132675 | 0.74 | ASIC3 (0.64) | HSP90AA1ASIC3RAB9AALDH1A1TSHR |
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-109843879-B | Benzothiazole derivatives as DYRK1 inhibitors | 药物治疗股份有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-109651358-B | 4-aminopyridine derivative, pharmaceutical composition, preparation method and application thereof | 上海迪诺医药科技有限公司 | 2023-04-07 | — | — | CN | disclosed |