Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.55 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.55 |
| ▸ | ITGAL | P20701 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | AHR | P35869 | 1/20 | 0.55 |
| ▸ | ADK | P55263 | 1/20 | 0.55 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.38 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
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 SCHEMBL31338620 | 0.92 | AHR (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL849126 | 0.92 | AHR (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL541659 | 0.87 | TRPA1 (0.55) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29494857 | 0.86 | CA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL4603865 | 0.86 | CA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28756519 | 0.84 | CA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL12491258 | 0.83 | TRPA1 (0.63) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27856435 | 0.80 | TRPA1 (0.63) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL4663977 | 0.79 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29752876 | 0.79 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |