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 | 5/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.40 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9420599 | 0.84 | CA2 (0.42) | CA1CA2TSHRGAAMEN1 | |
| SCHEMBL6732753 | 0.77 | SMN1; SMN2 (0.43) | TSHRMEN1MAPTKMT2ACYP3A4 | |
| SCHEMBL29923391 | 0.77 | SMN1; SMN2 (0.43) | TSHRMEN1MAPTKMT2ACYP3A4 | |
| SCHEMBL6728055 | 0.77 | ALDH1A1 (0.47) | TSHRMEN1MAPTKMT2AKDM4E | |
| SCHEMBL29923705 | 0.77 | ALDH1A1 (0.47) | TSHRMEN1MAPTKMT2AKDM4E | |
| SCHEMBL30596154 | 0.76 | SORT1 (0.40) | TSHRGAAMEN1MAPTKMT2A | |
| SCHEMBL9625563 | 0.76 | TSHR (0.48) | CA1CA2TSHRMEN1MAPT | |
| SCHEMBL29637851 | 0.76 | TSHR (0.48) | CA1CA2TSHRMEN1MAPT | |
| SCHEMBL8464010 | 0.76 | ALDH1A1 (0.46) | TSHRMEN1MAPTKMT2AKDM4E | |
| SCHEMBL9578974 | 0.72 | CA2 (0.45) | CA1CA2TSHRMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0805140-A1 | Process for producing 4,5-dichloro-2-methylbenzoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-05 | — | — | EP | claimed |
| US-5886218-A | REACTING 3,4-DICHLOROTOLUENE WITH ACETYL CHLORIDE OR CHLOROACETYL CHLORIDE USING A FRIEDEL-CRAFTS CATALYST; OXIDIZING THE ACETYLATED INTERMEDIATE IN THE PRESENCE OF AN ALKALI TO PRODUCE THE SALT SUBSEQUENTLY HYDROLYZED | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| EP-0805140-A1 | Process for producing 4,5-dichloro-2-methylbenzoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0805140-A1 | Process for producing 4,5-dichloro-2-methylbenzoic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-05 | — | — | EP | disclosed |