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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.40 |
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.33 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 2/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25241513 | 0.85 | CA12 (0.38) | KDM4ECA12CA7CA14CA9 | |
| SCHEMBL28428747 | 0.83 | KDM4E (0.44) | KDM4ECA12CA7CA14ANPEP | |
| SCHEMBL29710685 | 0.76 | KDM4E (0.61) | KDM4ECA12CA7CA14CA9 | |
| SCHEMBL25288645 | 0.74 | KDM4E (0.38) | KDM4ECA12CA7CA14CA9 | |
| Potassium Ion SCHEMBL30898940 | 0.73 | KDM4E (0.61) | KDM4ECA12CA7CA14CA9 | |
| SCHEMBL28437385 | 0.71 | CA12 (0.41) | KDM4ECA12CA7CA14CA9 | |
| SCHEMBL25284129 | 0.70 | CA12 (0.40) | KDM4ECA12CA7CA14CA9 | |
| SCHEMBL28430238 | 0.69 | KDM4E (0.35) | KDM4ECA12CA7CA14ANPEP | |
| SCHEMBL28438852 | 0.68 | KDM4E (0.34) | KDM4EANPEPERAP2SMN1; SMN2CYP1A2 | |
| SCHEMBL30142426 | 0.68 | KDM4E (0.52) | KDM4EANPEPERAP2HTTSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444763-A | High-water-resistance waterborne polyurethane curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-116444763-A | High-water-resistance waterborne polyurethane curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2023-07-18 | — | — | CN | disclosed |
| WO-2023116204-A1 | WATER-BASED BLOCKED POLYISOCYANATE CURING AGENT, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 嘉宝莉化工集团股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| CN-114230764-B | Water-based closed polyisocyanate curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-114230764-A | Water-based closed polyisocyanate curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2022-03-25 | — | — | CN | disclosed |
| CN-111393612-B | Sulfonate type waterborne polyurethane curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-111393612-A | Sulfonate type waterborne polyurethane curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2020-07-10 | — | — | CN | disclosed |