Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 6/20 | 0.68 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.68 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.68 |
| ▸ | ITGAL | P20701 | 1/20 | 0.68 |
| ▸ | CA4 | P22748 | 1/20 | 0.68 |
| ▸ | CA6 | P23280 | 1/20 | 0.68 |
| ▸ | ADK | P55263 | 1/20 | 0.68 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 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 SCHEMBL28665753 | 0.92 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28274751 | 0.88 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6791278 | 0.85 | AHR (0.85) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL677560 | 0.85 | AHR (0.63) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL5205084 | 0.83 | TRPA1 (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL27631042 | 0.83 | TRPA1 (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL2884198 | 0.83 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6386255 | 0.83 | AHR (0.90) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL30250492 | 0.82 | — | — | |
| Indole SCHEMBL698 | 0.82 | — | — |
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-108218838-A | Pyrimidine radicals indole derivatives and preparation method thereof and application in preparation of anti-tumor drugs | 青岛海洋生物医药研究院股份有限公司 | 2018-06-29 | — | — | CN | disclosed |