Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Indole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.63 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.63 |
| ▸ | ITGAL | P20701 | 1/20 | 0.63 |
| ▸ | CA4 | P22748 | 1/20 | 0.63 |
| ▸ | CA6 | P23280 | 1/20 | 0.63 |
| ▸ | AHR | P35869 | 1/20 | 0.63 |
| ▸ | ADK | P55263 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 SCHEMBL849126 | 0.87 | AHR (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL31338620 | 0.87 | AHR (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL5446222 | 0.85 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL399069 | 0.84 | AHR (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL11219857 | 0.82 | AHR (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL15007820 | 0.82 | AHR (0.85) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL6791278 | 0.82 | AHR (0.85) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL8213935 | 0.82 | AHR (0.85) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL2769465 | 0.82 | AHR (0.85) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL2071445 | 0.81 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102492550-B | Leather essence for synthetic leather and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2013-04-03 | — | — | CN | claimed |
| CN-102492550-A | Leather essence for synthetic leather and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2012-06-13 | — | — | CN | claimed |
| CN-109517663-A | A kind of grape flavor tobacco aromaticss and its preparation method and application | 湖南中烟工业有限责任公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-102492550-B | Leather essence for synthetic leather and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2013-04-03 | — | — | CN | disclosed |
| CN-102492550-A | Leather essence for synthetic leather and preparation method thereof | SHANGHAI INST TECHNOLOGY | 2012-06-13 | — | — | CN | disclosed |