Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL6233950 | 0.94 | MEN1 (0.35) | MEN1KMT2ACA4CA5ACA5B | |
| Trifluoroacetic Acid SCHEMBL108536 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL2519684 | 0.87 | CA4 (0.38) | CA4FAHD1CA2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3920984 | 0.83 | CA4 (0.40) | MEN1KMT2ACA4FAHD1CA2 | |
| Trifluoroacetic Acid SCHEMBL7737453 | 0.81 | MEN1 (0.35) | MEN1KMT2ACA5ACA5BCA2 | |
| Trifluoroacetic Acid SCHEMBL4528375 | 0.79 | CA4 (0.38) | CA4FAHD1CA2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL20569310 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL204190 | 0.79 | CA4 (0.38) | CA4FAHD1CA2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL20571141 | 0.79 | CA4 (0.38) | CA4FAHD1CA2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL20569660 | 0.79 | CA4 (0.38) | CA4FAHD1CA2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63310850-A | — | — | None | — | — | JP | disclosed |
| US-6407096-B1 | 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS | TORAY INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1028113-A1 | FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-08-16 | — | — | EP | disclosed |
| JP-S63310850-A | 2,5-DIFLUOROPHENOL DERIVATIVE | SAGAMI CHEM RES CENTER | 1988-12-19 | — | — | JP | disclosed |