Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acrylamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2809548 | 0.94 | TSHR (0.39) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Lithium Ion SCHEMBL9625585 | 0.91 | TSHR (0.39) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Potassium Ion SCHEMBL5033982 | 0.91 | TSHR (0.39) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Acrylamide SCHEMBL8157330 | 0.85 | ZDHHC20 (0.40) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL29737440 | 0.82 | BBOX1 (0.34) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL28300 | 0.78 | ZDHHC20 (0.44) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Hydrochloric Acid SCHEMBL28069295 | 0.76 | ZDHHC20 (0.43) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL686653 | 0.76 | ZDHHC20 (0.43) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| Ammonia Solution, Strong SCHEMBL139208 | 0.76 | ZDHHC20 (0.43) | TSHRALDH1A1MAPK1TDP1ZDHHC20 | |
| SCHEMBL8322848 | 0.74 | TSHR (0.42) | TSHRALDH1A1MAPK1TDP1ZDHHC20 |
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 |
|---|---|---|---|---|---|---|---|
| US-6417417-B1 | WATER, HYDROCARBON GAS, NUCLEATION AGENT, CRYSTAL GROWTH INHIBITOR AND/OR DISPERSANT | INSTITUT FRANCAIS DU PETROLE (FR) | 2002-07-09 | — | — | US | disclosed |