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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL902802 | 0.88 | CA4 (0.50) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL1355989 | 0.88 | CA4 (0.50) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL8186351 | 0.87 | CA4 (0.39) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL11113523 | 0.84 | CA1 (0.48) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL11677216 | 0.83 | CA4 (0.45) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL284370 | 0.82 | CA4 (0.56) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL30998842 | 0.82 | CA4 (0.56) | BBOX1CA4FFAR3HDAC3HDAC1 | |
| SCHEMBL1767663 | 0.81 | — | — | |
| SCHEMBL7021961 | 0.80 | CA1 (0.44) | CA4CA1 | |
| Water SCHEMBL10705905 | 0.79 | CA4 (0.53) | BBOX1CA4FFAR3HDAC3HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6121470-A | ANIONIC SURFACTANTS, DETERGENTS; STORAGE STABILITY; WASHING SKIN AND HAIR; HYDROLYSIS, SALT EXCHANGING | KAO CORPORATION (JP) | 2000-09-19 | — | — | US | disclosed |
| EP-0752983-B1 | NOVEL GLYCINE DERIVATIVES, INTERMEDIATES THEREFOR AND CLEANSER COMPOSITIONS COMPRISING THEM | KAO CORP (JP) | 1999-08-11 | — | — | EP | disclosed |
| EP-0752983-A1 | NOVEL GLYCINE DERIVATIVES, INTERMEDIATES THEREFOR AND CLEANSER COMPOSITIONS COMPRISING THEM | Kao Corporation (JP) | 1997-01-15 | — | — | EP | disclosed |
| WO-1995026329-A1 | NOVEL GLYCINE DERIVATIVES, INTERMEDIATES THEREFOR AND CLEANSER COMPOSITIONS COMPRISING THEM | KAO CORPORATION (JP) | 1995-10-05 | — | — | WO | disclosed |