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 | 5/20 | 0.52 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11701740 | 0.98 | CA2 (0.53) | CA2IDO1CA12CA9CA1 | |
| SCHEMBL6962827 | 0.95 | CA2 (0.52) | CA2IDO1CA12CA9CA1 | |
| SCHEMBL28294568 | 0.87 | CA2 (0.55) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11091813 | 0.84 | CA2 (0.51) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8855379 | 0.83 | MGLL (0.59) | CA2CA12CA9CA1CA7 | |
| SCHEMBL10973386 | 0.79 | CA2 (0.51) | CA2 | |
| SCHEMBL4704220 | 0.78 | TAAR1 (0.45) | CA2CA12CA9CA1CA7 | |
| SCHEMBL6579256 | 0.78 | TAAR1 (0.45) | CA2CA12CA9CA1CA7 | |
| SCHEMBL2377550 | 0.78 | TAAR1 (0.45) | CA2IDO1CA12CA9CA1 | |
| SCHEMBL9343853 | 0.78 | KMT2A (0.56) | CA2CA1CA7LMNA |
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-113637964-A | Preparation method of anti-oxidation treatment fluid for end face of battery copper foil | 新疆亿日铜箔科技股份有限公司 | 2021-11-12 | — | — | CN | claimed |
| CN-105149185-A | Method for preparing super-hydrophobic compound thin film with micro and nano structure | WUXI QIAOYANG MACHINERY MFG CO LTD | 2015-12-16 | — | — | CN | claimed |
| CN-115926067-B | High-temperature-resistant hyperbranched retarder for concrete and preparation method thereof | 科之杰新材料集团有限公司 | 2024-09-03 | — | — | CN | disclosed |
| CN-115926067-A | High-temperature-resistant hyperbranched retarder for concrete and preparation method thereof | 科之杰新材料集团有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-113637964-A | Preparation method of anti-oxidation treatment fluid for end face of battery copper foil | 新疆亿日铜箔科技股份有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-113637964-A | Preparation method of anti-oxidation treatment fluid for end face of battery copper foil | 新疆亿日铜箔科技股份有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-105149185-A | Method for preparing super-hydrophobic compound thin film with micro and nano structure | WUXI QIAOYANG MACHINERY MFG CO LTD | 2015-12-16 | — | — | CN | disclosed |