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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8467899 | 0.84 | AKR1C4 (0.63) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL29684531 | 0.84 | AKR1C4 (0.63) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL28737173 | 0.82 | AKR1C4 (0.61) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL5878782 | 0.79 | CA1 (0.44) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL111202 | 0.79 | AKR1C4 (0.54) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL11254389 | 0.78 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL5878784 | 0.77 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2512939 | 0.77 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL1301827 | 0.77 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL28392002 | 0.77 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478234-B | Refining method of 4-chlorophthalic acid monosodium salt crude product | 河北海力恒远新材料股份有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-114853705-A | Method for preparing chlorophthalic anhydride by recovering 4-chlorophthalic acid monosodium salt reaction mother liquor | 河北海力香料股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-114478234-A | Refining method of 4-chlorophthalic acid monosodium salt crude product | 河北海力香料股份有限公司 | 2022-05-13 | — | — | CN | disclosed |