Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.90 |
| ▸ | CA1 | P00915 | 2/20 | 0.90 |
| ▸ | CA4 | P22748 | 2/20 | 0.90 |
| ▸ | CA6 | P23280 | 2/20 | 0.90 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.90 |
| ▸ | CA2 | P00918 | 1/20 | 0.90 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.90 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.90 |
| ▸ | ITGAL | P20701 | 1/20 | 0.90 |
| ▸ | ADK | P55263 | 1/20 | 0.90 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Indole SCHEMBL28594059 | 1.00 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL6626472 | 1.00 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL1173439 | 1.00 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL29352896 | 0.95 | — | — | |
| Indole SCHEMBL30463845 | 0.95 | — | — | |
| Indole SCHEMBL30250492 | 0.95 | — | — | |
| Indole SCHEMBL28071644 | 0.95 | AHR (1.00) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL698 | 0.95 | — | — | |
| Indole SCHEMBL1160186 | 0.95 | AHR (1.00) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL25404194 | 0.92 | AHR (0.94) | AHRCA1CA4CA6TRPA1 |
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-115260173-A | Cyclopentanoindole branched-chain acid derivative and preparation method and application thereof | 厦门宝太生物科技股份有限公司 | 2022-11-01 | — | — | CN | disclosed |