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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 SCHEMBL20917785 | 0.93 | CA1 (0.53) | CA1CA4CA2LMNA | |
| Trifluoroacetic Acid SCHEMBL7949096 | 0.93 | CA1 (0.53) | CA1CA4CA2LMNA | |
| Trifluoroacetic Acid SCHEMBL14354066 | 0.93 | CA1 (0.53) | CA1CA4CA2LMNA | |
| Trifluoroacetic Acid SCHEMBL3204069 | 0.90 | CA1 (0.50) | CA1CA4CA2 | |
| Trifluoroacetic Acid SCHEMBL204190 | 0.89 | CA4 (0.38) | CA1CA4CA2 | |
| Trifluoroacetic Acid SCHEMBL27894501 | 0.89 | CA4 (0.38) | CA1CA4CA2 | |
| Trifluoroacetic Acid SCHEMBL9230724 | 0.88 | CA1 (0.47) | CA1CA4 | |
| Trifluoroacetic Acid SCHEMBL9276548 | 0.88 | CA1 (0.47) | CA1CA4 | |
| Trifluoroacetic Acid SCHEMBL10703180 | 0.88 | CA1 (0.47) | CA1CA4 | |
| Trifluoroacetic Acid SCHEMBL9752761 | 0.84 | CA1 (0.50) | CA1CA4CA2 |
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-0685450-B1 | Process for the preparation of esters of carboxylic acids derived from allylic alcohol | FIRMENICH & CIE (CH) | 1999-07-14 | — | — | EP | claimed |
| JP-3181520-A | — | — | None | — | — | JP | disclosed |
| JP-H03181520-A | PREPARATION OF POLYMER | SHELL INTERNATL RES MAATSCHAPPIJ BV | 1991-08-07 | — | — | JP | disclosed |