Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Allyl Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.33 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.33 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.32 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28933559 | 0.89 | TDP1 (0.55) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| SCHEMBL19915134 | 0.88 | TDP1 (0.61) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| SCHEMBL94887 | 0.88 | TDP1 (0.61) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| Water SCHEMBL17044655 | 0.86 | TDP1 (0.59) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| SCHEMBL6035161 | 0.86 | TDP1 (0.59) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| Water SCHEMBL2898586 | 0.86 | TDP1 (0.59) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| SCHEMBL5621482 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| SCHEMBL2025169 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| SCHEMBL17476623 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1TSHRPLCG1LMNA | |
| Lithium Ion SCHEMBL813502 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1TSHRPLCG1LMNA |
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-111154052-B | Viscosity reducer for ultra-high performance concrete and preparation method and application thereof | 湖南大学 | 2021-03-23 | — | — | CN | claimed |
| CN-111154052-A | Viscosity reducer for ultra-high performance concrete and preparation method and application thereof | 湖南大学 | 2020-05-15 | — | — | CN | claimed |
| CN-111154052-B | Viscosity reducer for ultra-high performance concrete and preparation method and application thereof | 湖南大学 | 2021-03-23 | — | — | CN | disclosed |
| CN-111154052-A | Viscosity reducer for ultra-high performance concrete and preparation method and application thereof | 湖南大学 | 2020-05-15 | — | — | CN | disclosed |