Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.59 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.59 |
| ▸ | ITGAL | P20701 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | ADK | P55263 | 1/20 | 0.59 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL16757645 | 0.96 | TRPA1 (0.63) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28576095 | 0.95 | TRPA1 (0.61) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28967497 | 0.92 | TRPA1 (0.57) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL2170920 | 0.86 | TRPA1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL6925060 | 0.86 | TRPA1 (0.63) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL6835663 | 0.84 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL1714414 | 0.84 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL384964 | 0.83 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28479409 | 0.83 | TRPA1 (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL5851080 | 0.83 | AHR (0.85) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776740-A | Process for the preparation of L-tryptophan | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-07-07 | — | — | US | disclosed |