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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 7/20 | 0.46 |
| ▸ | P2RY12 known ✓ | Q9H244 | 2/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | P2RY2 known ✓ | P41231 | 2/20 | 0.38 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.38 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL28547608 | 0.97 | P2RY4 (0.43) | P2RY4P2RY12HTR2AFTOCA1 | |
| SCHEMBL11744449 | 0.84 | BCL2 (0.44) | P2RY4P2RY12HTR2ACA1CA2 | |
| SCHEMBL28538022 | 0.82 | TTR (0.42) | HTR2ACA1CA2CA9CA12 | |
| SCHEMBL11239306 | 0.81 | NSD2 (0.39) | P2RY4P2RY12CA1CA2 | |
| SCHEMBL28362526 | 0.76 | HTR2A (0.56) | HTR2A | |
| Sulfuric Acid SCHEMBL29195248 | 0.76 | HTR2A (0.44) | P2RY4P2RY12HTR2ACA1CA2 | |
| SCHEMBL28530830 | 0.73 | MMP2 (0.40) | P2RY4FTOCA2CA9CA12 | |
| SCHEMBL30988956 | 0.72 | CA2 (0.50) | HTR2ACA1CA2CA9CA12 | |
| SCHEMBL407413 | 0.72 | CA2 (0.50) | HTR2ACA1CA2CA9CA12 | |
| SCHEMBL102570 | 0.71 | HTR2A (0.50) | HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108404644-B | Formaldehyde trapping agent and preparation and application methods thereof | 福建工程学院 | 2021-03-30 | — | — | CN | disclosed |