Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.42 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.65 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.65 |
| ▸ | ITGAL | P20701 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | CA6 | P23280 | 1/20 | 0.65 |
| ▸ | AHR | P35869 | 1/20 | 0.65 |
| ▸ | ADK | P55263 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
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 SCHEMBL27448469 | 1.00 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL7634666 | 1.00 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL7634660 | 1.00 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL4752595 | 0.89 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Cinnamic Acid SCHEMBL5784523 | 0.88 | HDAC2 (0.61) | TRPA1CA1CA2ITGB2ICAM1 | |
| Cinnamic Acid SCHEMBL5784516 | 0.88 | HDAC2 (0.61) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28479409 | 0.88 | TRPA1 (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL224834 | 0.87 | TRPA1 (0.63) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29966814 | 0.87 | TRPA1 (0.63) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL2704553 | 0.86 | TRPA1 (0.74) | 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-117586171-A | Indole derivative, pharmaceutical composition and application thereof in central nervous field | 长春金赛药业有限责任公司 | 2024-02-23 | — | — | CN | disclosed |
| WO-2022051670-A1 | AZETIDINYL TRYPTAMINES AND METHODS OF TREATING PSYCHIATRIC DISORDERS | GILGAMESH PHARMACEUTICALS, INC. (US) | 2022-03-10 | — | — | WO | disclosed |