Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trifluoromethylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL9643538 | 0.90 | ALDH1A1 (0.64) | ALDH1A1TSHRMAPTKMT2ABACE1 | |
| Trifluoromethylbenzene SCHEMBL28325249 | 0.89 | ALDH1A1 (0.70) | ALDH1A1TSHRMAPTKMT2ABACE1 | |
| Acetic Acid SCHEMBL27917096 | 0.85 | KCNN4 (0.50) | BACE1NR4A1NR4A2NR4A3KIF11 | |
| Acetic Acid SCHEMBL27502736 | 0.83 | NR4A1 (0.45) | BACE1NR4A1NR4A2NR4A3KIF11 | |
| Acetic Acid SCHEMBL27712913 | 0.83 | KCNN4 (0.56) | MAPTKMT2ARAB9AKCNN4MEN1 | |
| Tert-Butylbenzene SCHEMBL28110305 | 0.82 | MAPT (0.55) | ALDH1A1MAPTKMT2ARAB9AKIF11 | |
| Acetic Acid SCHEMBL2275490 | 0.81 | NQO2 (0.55) | NR4A1NR4A2NR4A3CES2CES1 | |
| Trifluoromethylbenzene SCHEMBL10587298 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTKMT2ARAB9A | |
| Trifluoromethylbenzene SCHEMBL26622243 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPTKMT2ABACE1 | |
| Trifluoromethylbenzene SCHEMBL5311703 | 0.78 | ALDH1A1 (0.82) | ALDH1A1TSHRMAPTKMT2ABACE1 |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1029932-C | Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers | BIORESEARCH INC (US) | 1995-10-11 | — | — | CN | claimed |
| CN-1060770-A | The sweetness inhibitor that contains substantially tasteless is as bitter inhibitor or contain the absorbed thing of the bitter inhibitor of substantially tasteless as sweetness inhibitor | BIORESEARCH INC (US) | 1992-05-06 | — | — | CN | claimed |
| CN-102917588-B | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2014-10-08 | — | — | CN | disclosed |
| CN-103534257-A | Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases | PFIZER | 2014-01-22 | — | — | CN | disclosed |
| CN-101815713-B | Polycyclic compounds | EISAI R&D MAN CO LTD | 2013-09-11 | — | — | CN | disclosed |
| CN-103237793-A | Pyrazole compound having therapeutic effect on multiple myeloma | NISSAN CHEMICAL IND LTD | 2013-08-07 | — | — | CN | disclosed |
| CN-103012378-A | 3-phenyl-pyrazole derivatives as modulators of the 5-HT2a serotonin receptor useful for the treatment of disorders related thereto | ARENA PHARM INC | 2013-04-03 | — | — | CN | disclosed |
| CN-102977029-A | 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto | ARENA PHARM INC | 2013-03-20 | — | — | CN | disclosed |
| CN-102917588-A | Chemical compounds | GLAXOSMITHKLINE LLC | 2013-02-06 | — | — | CN | disclosed |
| CN-101084195-B | As 5-HT2A3-phenyl-pyrazole derivatives useful as serotonin receptor modulators for the treatment of disorders related thereto | ARENA PHARM INC | 2013-01-02 | — | — | CN | disclosed |
| CN-102858742-A | Trpv1 vanilloid receptor antagonists with a bicyclic portion | PHARMESTE SRL | 2013-01-02 | — | — | CN | disclosed |
| CN-1347420-A | Growth-promoting hormone secretagogues | LILLY CO ELI (US) | 2002-05-01 | — | — | CN | disclosed |
| CN-1309657-A | Use of diaza * compounds for the preparation of a medicament for the treatment of a pathological condition or disease associated with somatostatin receptors | SOD CONSEILS RECH APPLIC (FR) | 2001-08-22 | — | — | CN | disclosed |
| CN-1238760-A | N- (aryl/heteroaryl/alkylacetyl) amino acid amides, pharmaceutical compositions containing such compounds, and methods of inhibiting beta-amyloid peptide release and or synthesis using such compounds | ELAN PHARM INC (US) | 1999-12-15 | — | — | CN | disclosed |
| CN-1237960-A | N (aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and method for inhibiting 'beta'-amyloid peptide release and/or its synthesis by use of such compounds | YEELAN PHARMACEUTICAL CORP (US) | 1999-12-08 | — | — | CN | disclosed |
| CN-1194580-A | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 1998-09-30 | — | — | CN | disclosed |
| CN-1178525-A | Substituted phenyl compounds as endothelin antagonists | RHONE POULEUC RORER LTD (GB) | 1998-04-08 | — | — | CN | disclosed |
| CN-1029932-C | Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers | BIORESEARCH INC (US) | 1995-10-11 | — | — | CN | disclosed |
| CN-1109050-A | Catecholamine surrogates useful as beta3 agonists | BRISTOL MYERS SQUIBB CO (US) | 1995-09-27 | — | — | CN | disclosed |
| CN-1060770-A | The sweetness inhibitor that contains substantially tasteless is as bitter inhibitor or contain the absorbed thing of the bitter inhibitor of substantially tasteless as sweetness inhibitor | BIORESEARCH INC (US) | 1992-05-06 | — | — | CN | disclosed |