Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.71 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.71 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.71 |
| ▸ | IMPDH2 known ✓ | P12268 | 2/20 | 0.46 |
| ▸ | IMPDH1 known ✓ | P20839 | 2/20 | 0.46 |
| ▸ | AHR | P35869 | 7/20 | 0.71 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.71 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.71 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.71 |
| ▸ | ITGAL | P20701 | 1/20 | 0.71 |
| ▸ | CA6 | P23280 | 1/20 | 0.71 |
| ▸ | ADK | P55263 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
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 SCHEMBL27263404 | 0.87 | AHR (0.77) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL3538342 | 0.87 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28419364 | 0.87 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL4364385 | 0.87 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28180904 | 0.87 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL29418271 | 0.87 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL17595409 | 0.85 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28410125 | 0.85 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL2771165 | 0.85 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL9400549 | 0.85 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 |
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-1151147-C | Indole derivatives as 5 -HT receptor antagonist | ʷ��˿�������ȳ�ķ����˾ | 2004-05-26 | — | — | CN | disclosed |
| CN-1179156-A | Indole derivatives as 5-HT receptor antagonists | SMITHKINE BEECHAM PLC (GB) | 1998-04-15 | — | — | CN | disclosed |