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 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18738256 | 0.86 | HDAC8 (0.49) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL7572763 | 0.86 | HDAC8 (0.49) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL4668778 | 0.84 | ALDH1A1 (0.48) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL29193437 | 0.82 | MMP1 (0.59) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL28469697 | 0.81 | ACE (0.47) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL11252054 | 0.81 | MMP1 (0.57) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL2946386 | 0.80 | MMP1 (0.46) | HDAC8HDAC3HDAC6HDAC1HDAC2 | |
| SCHEMBL859719 | 0.80 | ALDH1A1 (0.52) | CA2HDAC8HDAC3HDAC6HDAC1 | |
| SCHEMBL29432860 | 0.80 | ALDH1A1 (0.52) | CA2HDAC8HDAC3HDAC6HDAC1 | |
| SCHEMBL20862520 | 0.78 | ALDH1A1 (0.48) | HDAC8HDAC3HDAC6HDAC1HDAC2 |
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-1888010-A1 | MULTI-PHASED PERSONAL CARE COMPOSITION COMPRISING A BLOOMING PERFUME COMPOSITION | The Procter and Gamble Company (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006132974-A1 | MULTI-PHASED PERSONAL CARE COMPOSITION COMPRISING A BLOOMING PERFUME COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 2006-12-14 | — | — | WO | disclosed |