Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL479935 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL30619382 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5242831 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1977391 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29465551 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3464123 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL14354064 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3464125 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL20743378 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL28182625 | 0.93 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019078145-A1 | MATERIAL FOR PREPARING MASS SPECTROMETRY SAMPLE | JSR株式会社 | 2019-04-25 | — | — | WO | disclosed |