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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 known ✓ | P04150 | 8/20 | 0.41 |
| ▸ | CCR2 | P41597 | 3/20 | 0.58 |
| ▸ | CCR5 | P51681 | 3/20 | 0.58 |
| ▸ | SPR | P35270 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5961499 | 0.91 | CCR2 (0.59) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL7163174 | 0.88 | CCR2 (0.72) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL5961458 | 0.85 | CCR2 (0.68) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL5961585 | 0.79 | CCR2 (0.74) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL2864146 | 0.78 | CCR2 (0.48) | CCR2CCR5NR3C1MAPTALDH1A1 | |
| SCHEMBL5961483 | 0.78 | CCR2 (0.66) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL5961562 | 0.77 | CCR2 (0.71) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL7079541 | 0.77 | CCR2 (0.68) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL5961571 | 0.76 | CCR2 (0.59) | CCR2CCR5NR3C1SPRPOLB | |
| SCHEMBL5961447 | 0.74 | CCR2 (0.59) | CCR2CCR5NR3C1SPRPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6992086-B2 | Antagonists of MCP-1 function and methods of use thereof | TELIK, INC. (US) | 2006-01-31 | — | — | US | disclosed |
| US-6670364-B2 | For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases | TELIK, INC. | 2003-12-30 | — | — | US | disclosed |