Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.50 |
| ▸ | F10 known ✓ | P00742 | 2/20 | 0.46 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.62 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 10/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5679154 | 0.98 | ABCB11 (0.64) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL6599360 | 0.89 | ABCB11 (0.77) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL6780026 | 0.87 | ABCB11 (0.64) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL6780426 | 0.86 | ABCB11 (0.62) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL5679412 | 0.86 | ABCB11 (0.63) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL6775631 | 0.85 | ABCB11 (0.64) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL7083815 | 0.84 | ABCB11 (0.61) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL7098037 | 0.83 | ABCB11 (0.59) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL6782501 | 0.83 | ABCB11 (0.58) | ABCB11NOD2NOD1CCR2F10 | |
| SCHEMBL7084148 | 0.83 | ABCB11 (0.61) | ABCB11NOD2NOD1CCR2F10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268423-A1 | INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001051467-A1 | INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2001-07-19 | — | — | WO | disclosed |