Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.40 |
| ▸ | HSD17B14 | Q9BPX1 | 2/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29107394 | 0.83 | ESR1 (0.40) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL3158582 | 0.83 | MAOB (0.40) | ESR1 | |
| SCHEMBL31366917 | 0.83 | MAOB (0.40) | ESR1 | |
| SCHEMBL25356026 | 0.80 | APP (0.40) | CA6TRIM24TYRTRIM33 | |
| SCHEMBL29184353 | 0.79 | VCP (0.33) | — | |
| SCHEMBL739930 | 0.78 | HTR2A (0.38) | — | |
| SCHEMBL30506427 | 0.78 | SOS1 (0.44) | — | |
| SCHEMBL740211 | 0.78 | SOS1 (0.44) | — | |
| SCHEMBL30631648 | 0.78 | HTR2A (0.38) | — | |
| SCHEMBL30078218 | 0.78 | NR4A1 (0.35) | ESR2 |
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-115003671-B | JNK inhibitors, pharmaceutical compositions and uses thereof | 武汉朗来科技发展有限公司 | 2024-08-06 | — | — | CN | disclosed |