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 | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29456048 | 1.00 | CA4 (0.43) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL3197978 | 0.95 | MGAM (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL3190793 | 0.95 | MGAM (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Potassium Ion SCHEMBL3189025 | 0.95 | MGAM (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Lithium Ion SCHEMBL3193348 | 0.95 | MGAM (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL3198496 | 0.87 | FAAH (0.50) | FAAHCA1NAAADGKAALDH1A1 | |
| SCHEMBL3192696 | 0.85 | NAAA (0.59) | FAAHCA1NAAADGKA | |
| SCHEMBL10344143 | 0.84 | NAAA (0.62) | FAAHNAAADGKA | |
| SCHEMBL3199203 | 0.84 | NAAA (0.62) | FAAHNAAADGKA | |
| SCHEMBL29046183 | 0.84 | NAAA (0.62) | FAAHNAAADGKA |
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 |
|---|---|---|---|---|---|---|---|
| CN-110172019-B | Metal salts of malonic acid as nucleating additives for crystalline thermoplastics | 印度石油有限公司 | 2022-03-04 | — | — | CN | disclosed |
| US-7674330-B2 | Ink and ink-jet recording apparatus | CANON KABUSHIKI KAISHA (JP) | 2010-03-09 | — | — | US | disclosed |
| US-20080282930-A1 | INK AND INK-JET RECORDING APPARATUS | CANON KABUSHIKI KAISHA (JP) | 2008-11-20 | — | — | US | disclosed |
| CN-1561870-A | Method for using substituted malonic acid to release acid fragrance component of cigarette | CHANGSHA CIGARETTE FACTORY (CN) | 2005-01-12 | — | — | CN | disclosed |