Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL740787 | 0.94 | CA4 (0.46) | CA2CA4CTSLCPT2CPT1A | |
| Alcohol SCHEMBL9533571 | 0.90 | CA2 (0.41) | CA2CA4CTSLCPT2CPT1A | |
| Potassium Ion SCHEMBL7154954 | 0.89 | CA4 (0.42) | CA2CA4CTSLCPT2CPT1A | |
| Tetrylammonium SCHEMBL6315154 | 0.82 | CA4 (0.34) | CA2CA4CTSLCPT2CPT1A | |
| SCHEMBL181245 | 0.81 | CA2 (0.39) | CA2CA4CTSLCPT2CPT1A | |
| SCHEMBL7115121 | 0.81 | CA4 (0.33) | CA2CA4 | |
| SCHEMBL4903344 | 0.81 | CA4 (0.33) | CA2CA4 | |
| Cetyl Alcohol SCHEMBL17986422 | 0.79 | CA2 (0.41) | CA2TSHRCA1 | |
| SCHEMBL5161331 | 0.78 | CA4 (0.44) | CA2CA4CTSLCPT2CPT1A | |
| SCHEMBL29913440 | 0.78 | SLC22A6 (0.35) | CA2CA4 |
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-0557426-A1 | LIGHT-DUTY DISHWASHING DETERGENT COMPOSITION CONTAINING AN ALKYL ETHOXY CARBOXYLATE SURFACTANT AND CALCIUM OR MAGNESIUM IONS. | PROCTER & GAMBLE (US) | 1993-09-01 | — | — | EP | disclosed |
| WO-1992008777-A1 | LIGHT-DUTY DISHWASHING DETERGENT COMPOSITION CONTAINING AN ALKYL ETHOXY CARBOXYLATE SURFACTANT AND CALCIUM OR MAGNESIUM IONS | THE PROCTER & GAMBLE COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |