Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAP3K5 | Q99683 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28643381 | 0.89 | MAPK1 (0.43) | MAP3K5LMNAMAPK1PDE4DHSP90AA1 | |
| SCHEMBL28649133 | 0.89 | MAP3K5 (0.44) | HPGDNPSR1MAP3K5RAB9APDE4D | |
| SCHEMBL28648124 | 0.89 | MAP3K5 (0.42) | HPGDMAP3K5LMNAABL1 | |
| SCHEMBL28649418 | 0.84 | MAP3K5 (0.53) | MAP3K5 | |
| SCHEMBL28656973 | 0.83 | TSHR (0.41) | TSHRMAP3K5HSD17B10ABL1KDM4C | |
| SCHEMBL28658716 | 0.81 | MAP3K5 (0.41) | MAP3K5 | |
| SCHEMBL29949144 | 0.81 | MAP3K5 (0.41) | MAP3K5 | |
| SCHEMBL28648138 | 0.81 | MAP3K5 (0.41) | MAP3K5HSD17B10ABL1KDM4C | |
| Hydrochloric Acid SCHEMBL28656984 | 0.80 | MAP3K5 (0.41) | MAP3K5 | |
| SCHEMBL22474009 | 0.79 | MAP3K5 (0.49) | MAP3K5 |
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-109400625-B | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2021-11-12 | — | — | CN | disclosed |