Known targets — ChEMBL curated mechanism
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ODC1 | P11926 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 SCHEMBL4391008 | 0.85 | TSHR (0.38) | PKMFUCA1HRH4HRH3ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL6224514 | 0.85 | FAAH (0.39) | HRH4HRH3MEN1ALDH1A1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL359979 | 0.85 | FAAH (0.39) | HRH4HRH3MEN1ALDH1A1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3471327 | 0.85 | TSHR (0.38) | PKMFUCA1HRH4HRH3ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL16115531 | 0.78 | SMN1; SMN2 (0.47) | PKMHRH4HRH3ALDH1A1KDM1A | |
| Trifluoroacetic Acid SCHEMBL3983920 | 0.78 | SMN1; SMN2 (0.47) | PKMHRH4HRH3ALDH1A1KDM1A | |
| Trifluoroacetic Acid SCHEMBL6826527 | 0.75 | ALDH1A1 (0.42) | PKMHRH4HRH3ALDH1A1KDM1A | |
| Trifluoroacetic Acid SCHEMBL2721516 | 0.75 | ALDH1A1 (0.42) | PKMHRH4HRH3ALDH1A1KDM1A | |
| Trifluoroacetic Acid SCHEMBL906262 | 0.75 | FAAH (0.41) | HRH4HRH3MEN1CYP1A2KMT2A | |
| Trifluoroacetic Acid SCHEMBL3377548 | 0.75 | PLG (0.44) | HRH4HRH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | ANTHONY NEVILLE J (US) | 2005-08-11 | — | — | US | disclosed |
| US-6921759-B2 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2005-07-26 | — | — | US | disclosed |
| EP-1326865-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | disclosed |
| WO-2002030930-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | PKM 3331/4885FUCA1 3573/4885HRH4 2742/4885 |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | PKM 3331/4885FUCA1 3573/4885HRH4 2742/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.