Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Styrene. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| Styrene SCHEMBL2929107 | 0.83 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1FBP1CYP3A4 | |
| SCHEMBL29993090 | 0.82 | HTT (0.38) | ALDH1A1TDP1CA12CA2CA9 | |
| Styrene SCHEMBL29152718 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1CA12CA2 | |
| Styrene SCHEMBL5959955 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1CA12CA2 | |
| Styrene SCHEMBL165374 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1CA12CA2 | |
| SCHEMBL127250 | 0.76 | — | — | |
| SCHEMBL38657516 | 0.76 | MEN1 (0.35) | ALDH1A1TSHRTDP1CA12CA2 | |
| Acrylic Acid SCHEMBL28549354 | 0.75 | LMNA (0.40) | ALDH1A1HSD17B10 | |
| Styrene SCHEMBL28479724 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CA12CA2 | |
| Styrene SCHEMBL5960688 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1FBP1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3801813-A1 | CONTROLLING THE RHEOLOGY OF A METAL ORE RESIDUE | Coatex (FR) | 2021-04-14 | — | — | EP | claimed |
| EP-3801811-A2 | METHOD FOR CONTROLLING THE SEDIMENTATION OF A MINING DERIVATIVE | Coatex (FR) | 2021-04-14 | — | — | EP | claimed |
| EP-3810299-A1 | RECYCLING OF WATER IN A MINING BY-PRODUCT | Coatex (FR) | 2021-04-28 | — | — | EP | disclosed |
| EP-3801811-A2 | METHOD FOR CONTROLLING THE SEDIMENTATION OF A MINING DERIVATIVE | Coatex (FR) | 2021-04-14 | — | — | EP | disclosed |
| EP-3801813-A1 | CONTROLLING THE RHEOLOGY OF A METAL ORE RESIDUE | Coatex (FR) | 2021-04-14 | — | — | EP | disclosed |