Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trichloroacetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | NOD2 known ✓ | Q9HC29 | 2/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.38 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.37 |
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL7073942 | 0.86 | GAA (0.48) | ALDH1A1TP53TDP1RECQLLMNA | |
| SCHEMBL31448661 | 0.86 | GAA (0.52) | ALDH1A1TDP1SMN1; SMN2GAACA1 | |
| SCHEMBL8908023 | 0.86 | GAA (0.52) | ALDH1A1TDP1SMN1; SMN2GAACA1 | |
| Chloramine-T Anhydrous SCHEMBL19335 | 0.86 | GAA (0.52) | ALDH1A1TDP1SMN1; SMN2GAACA1 | |
| SCHEMBL2372301 | 0.86 | GAA (0.52) | ALDH1A1TDP1SMN1; SMN2GAACA1 | |
| Hydroxyamine SCHEMBL9054639 | 0.84 | CA1 (0.48) | ALDH1A1TP53TDP1LMNANOD2 | |
| SCHEMBL7687453 | 0.84 | GAA (0.50) | ALDH1A1TDP1SMN1; SMN2GAACA1 | |
| Water SCHEMBL2441113 | 0.84 | GAA (0.50) | ALDH1A1TP53TDP1SMN1; SMN2GAA | |
| Water SCHEMBL353112 | 0.84 | GAA (0.50) | ALDH1A1TP53TDP1SMN1; SMN2GAA | |
| Water SCHEMBL30669763 | 0.84 | GAA (0.50) | ALDH1A1TP53TDP1SMN1; SMN2GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6420181-B1 | DETECTING PREFERENTIAL PARTICLE IN SOLUTION; OBTAIN SOLUTION CONTAINING PARTICLE, MIX WITH SOLVENT, INSERT INTO TUBE, INCUBATE WITH CHROMOGENIC DETECTION INDICATOR, MONITOR SAMPLE FOR SIGNAL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2002-07-16 | — | — | US | disclosed |