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 | 0.58 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 4-Chloro-Benzoic Acid SCHEMBL8024002 | 0.74 | CA2 (1.00) | CA1CA2TSHRCES2CES1 | |
| SCHEMBL11367245 | 0.72 | TSHR (0.55) | CA1CA2TSHRMAPK1L3MBTL1 | |
| SCHEMBL11421383 | 0.72 | TSHR (0.55) | CA1CA2TSHRMAPK1L3MBTL1 | |
| Thiobenzoic Acid SCHEMBL2165575 | 0.72 | CA2 (0.55) | CA1CA2TSHRL3MBTL1CYP3A4 | |
| Thiobenzoic Acid SCHEMBL28582374 | 0.72 | CA2 (0.55) | CA1CA2TSHRL3MBTL1CYP3A4 | |
| Thiobenzoic Acid SCHEMBL29374102 | 0.72 | CA2 (0.55) | CA1CA2TSHRL3MBTL1CYP3A4 | |
| Thiobenzoic Acid SCHEMBL28345225 | 0.70 | CA2 (0.52) | CA1CA2TSHRL3MBTL1CYP3A4 | |
| Thiobenzoic Acid SCHEMBL28468362 | 0.70 | CA2 (0.52) | CA1CA2TSHRL3MBTL1CYP3A4 | |
| SCHEMBL354613 | 0.70 | HTT (0.56) | CA1CA2TSHRMAPK1L3MBTL1 | |
| SCHEMBL28879993 | 0.70 | ALDH1A1 (0.48) | CA1CA2TSHRMAPK1L3MBTL1 |
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-118126530-A | Low-dielectric-constant polyphenylene sulfide material for millimeter waves and preparation method thereof | 江西聚真科技发展有限公司 | 2024-06-04 | — | — | CN | claimed |
| CN-116554684-B | Polyphenylene sulfide-based plastic for oil-cooled motor oil injection ring and preparation method thereof | 宁国市瑞普密封件有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-116554684-A | Polyphenylene sulfide-based plastic for oil-cooled motor oil injection ring and preparation method thereof | 宁国市瑞普密封件有限公司 | 2023-08-08 | — | — | CN | disclosed |