Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.71 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.71 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.71 |
| ▸ | ITGAL | P20701 | 1/20 | 0.71 |
| ▸ | CA4 | P22748 | 1/20 | 0.71 |
| ▸ | CA6 | P23280 | 1/20 | 0.71 |
| ▸ | ADK | P55263 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Indole SCHEMBL69715 | 1.00 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL31131470 | 1.00 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL27909376 | 1.00 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28342343 | 0.98 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28299852 | 0.98 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Naphthalene SCHEMBL28144510 | 0.98 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL27393259 | 0.91 | AHR (0.77) | AHRTRPA1CA1CA2ITGB2 | |
| Carbazole SCHEMBL28161326 | 0.89 | AHR (0.57) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL27752462 | 0.88 | AHR (0.55) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28150508 | 0.88 | TRPA1 (0.55) | AHRTRPA1CA1CA2ITGB2 |
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-114014838-A | Compound and preparation method and application thereof | 山东师范大学 | 2022-02-08 | — | — | CN | disclosed |