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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | RRM1 | P23921 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2484974 | 0.82 | GPR84 (0.40) | MMP9MMP13ADAM17MMP1CA2 | |
| SCHEMBL2489270 | 0.81 | CA1 (0.39) | MMP9MMP13ADAM17MMP1CA2 | |
| SCHEMBL3018922 | 0.79 | CA2 (0.56) | MMP9MMP13ADAM17MMP1CA2 | |
| SCHEMBL25301056 | 0.79 | CA2 (0.56) | MMP9MMP13ADAM17MMP1CA2 | |
| SCHEMBL2123674 | 0.79 | CA2 (0.56) | MMP9MMP13ADAM17MMP1CA2 | |
| SCHEMBL2959461 | 0.76 | CNR1 (0.50) | CNR1GNAI3GNAO1GNAI1RRM1 | |
| SCHEMBL1882497 | 0.76 | CNR1 (0.50) | CNR1GNAI3GNAO1GNAI1RRM1 | |
| SCHEMBL2961362 | 0.76 | CNR1 (0.50) | CNR1GNAI3GNAO1GNAI1RRM1 | |
| SCHEMBL10796126 | 0.76 | CNR1 (0.50) | CNR1GNAI3GNAO1GNAI1RRM1 | |
| SCHEMBL25748452 | 0.76 | CNR1 (0.50) | CNR1GNAI3GNAO1GNAI1RRM1 |
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-2380955-A1 | CLEANSER COMPOSITION, PROCESS FOR PRODUCING SAME, AMPHIPHILIC COMPOUND, AND COMPOSITION | Lion Corporation (JP) | 2011-10-26 | — | — | EP | disclosed |