Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 2/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TMPRSS6 | Q8IU80 | 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 SCHEMBL508233 | 0.97 | CYP1A2 (0.38) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Trifluoroacetic Acid SCHEMBL2409655 | 0.87 | ACHE (0.38) | TSHRLMNAKLK1KLK5CA2 | |
| Trifluoroacetic Acid SCHEMBL7764428 | 0.87 | ACHE (0.38) | TSHRLMNAKLK1KLK5CA2 | |
| Trifluoroacetic Acid SCHEMBL31438646 | 0.87 | ACHE (0.38) | TSHRLMNAKLK1KLK5CA2 | |
| Pimagedine SCHEMBL507321 | 0.85 | THRB (0.37) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Trifluoroacetic Acid SCHEMBL5793900 | 0.81 | TSHR (0.59) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Pimagedine SCHEMBL507475 | 0.81 | THRB (0.44) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Pimagedine SCHEMBL28272894 | 0.81 | TSHR (0.47) | CYP1A2TSHRNFKB1MAOAMAOB | |
| Trifluoroacetic Acid SCHEMBL3723315 | 0.80 | CHIT1 (0.36) | KLK1KLK5CA2TMPRSS6 | |
| Oxalic Acid SCHEMBL4946423 | 0.78 | TSHR (0.44) | CYP1A2TSHRNFKB1MAOAMAOB |
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-9746300-B1 | Voltage induced porosity in insensitive munition | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2017-08-29 | — | — | US | disclosed |