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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.57 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.57 |
| ▸ | ITGAL | P20701 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.57 |
| ▸ | ADK | P55263 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
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 SCHEMBL4752595 | 0.93 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL3799689 | 0.84 | AHR (0.81) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL7634660 | 0.82 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL7634666 | 0.82 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29504142 | 0.82 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27448469 | 0.82 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL23932530 | 0.82 | AHR (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28479409 | 0.82 | TRPA1 (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28905552 | 0.82 | AHR (0.85) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27577524 | 0.81 | HRH4 (0.52) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105283455-B | As 2 keto amide derivatives of HIV adsorption inhibitors | 百时美施贵宝公司 | 2017-06-16 | — | — | CN | disclosed |
| CN-105229006-A | As piperazine and the homopiperazine derivative of HIV adsorption inhibitor | BRISTOL MYERS SQUIBB CO | 2016-01-06 | — | — | CN | disclosed |