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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Butylbenzyl SCHEMBL27698736 | 0.95 | CNR2 (0.43) | MEN1KMT2AKDM4EALDH1A1CYP1A2 | |
| Octane SCHEMBL11401295 | 0.90 | CA1 (0.47) | MEN1KMT2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL693818 | 0.87 | LIPG (0.43) | KCNH2KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11818244 | 0.85 | MEN1 (0.48) | MEN1KMT2AKCNH2KDM4EALDH1A1 | |
| Sulfuric Acid SCHEMBL2347222 | 0.81 | KCNH2 (0.57) | MEN1KMT2AKCNH2CA2FUT7 | |
| Sulfuric Acid SCHEMBL64908 | 0.81 | KCNH2 (0.57) | MEN1KMT2AKCNH2CA2FUT7 | |
| Sulfuric Acid SCHEMBL10969631 | 0.81 | KCNH2 (0.57) | MEN1KMT2AKCNH2CA2FUT7 | |
| Sulfuric Acid SCHEMBL544764 | 0.81 | KCNH2 (0.57) | MEN1KMT2AKCNH2CA2FUT7 | |
| Sulfuric Acid SCHEMBL15752866 | 0.81 | KCNH2 (0.57) | MEN1KMT2AKCNH2CA2FUT7 | |
| Sulfuric Acid SCHEMBL17003825 | 0.81 | KCNH2 (0.57) | MEN1KMT2AKCNH2CA2FUT7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712334-A | Lacton-modified polyvinyl alcohol and permanently anti-static resin composition | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-27 | — | — | US | disclosed |
| US-5612412-A | SAPONIFIED | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1997-03-18 | — | — | US | disclosed |
| EP-0704470-A2 | A lactone-modified polyvinyl alcohol, a process for the preparation thereof, a resin compsition, permanently anti-electrostatic resin composition, a lactone-modified resin having hydroxyl groups, and a process for the preparation thereof | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-03 | — | — | EP | disclosed |