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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9577558 | 0.84 | ALDH1A1 (0.73) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL7769347 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL9748549 | 0.75 | ALDH1A1 (0.80) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL5683703 | 0.73 | ALDH1A1 (0.77) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL3999764 | 0.73 | ALDH1A1 (0.67) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL3465944 | 0.72 | HTT (0.81) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL3465945 | 0.72 | HTT (0.81) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL13682938 | 0.70 | ALDH1A1 (0.58) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL10747932 | 0.70 | ALDH1A1 (0.61) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 | |
| SCHEMBL5325708 | 0.69 | ALDH1A1 (0.67) | ALDH1A1TSHRHTTKMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0407588-B1 | PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES | SAGAMI CHEM RES (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-5028738-A | Process for producing 2-oxo-3-aromatic carboxylic acid derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-07-02 | — | — | US | disclosed |
| EP-0407588-A1 | PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-01-16 | — | — | EP | disclosed |