Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.71 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.71 |
| ▸ | ITGAL | P20701 | 1/20 | 0.71 |
| ▸ | CA4 | P22748 | 1/20 | 0.71 |
| ▸ | CA6 | P23280 | 1/20 | 0.71 |
| ▸ | AHR | P35869 | 1/20 | 0.71 |
| ▸ | ADK | P55263 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.47 |
| ▸ | WNT3A | P56704 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 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 SCHEMBL8692212 | 1.00 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL15552 | 1.00 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Naphthalene SCHEMBL29066893 | 0.98 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL14576774 | 0.98 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL14576595 | 0.98 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL14576591 | 0.98 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL14576777 | 0.98 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL14576309 | 0.98 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27509171 | 0.94 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL9420911 | 0.93 | TRPA1 (0.61) | 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 |
|---|---|---|---|---|---|---|---|
| CN-105566202-A | 1,2,3,4-tetrahydro cyclopentyl indole derivative and synthesis method thereof | UNIV EAST CHINA NORMAL | 2016-05-11 | — | — | CN | disclosed |