Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | RXRB | P28702 | 4/20 | 0.39 |
| ▸ | RXRA | P19793 | 3/20 | 0.39 |
| ▸ | RXRG | P48443 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
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 SCHEMBL8141928 | 0.93 | ALDH1A1 (0.59) | ALDH1A1SLC2A1NPC1RAB9ARXRB | |
| Glycine SCHEMBL7128369 | 0.91 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ARXRBRXRA | |
| Trifluoroacetic Acid SCHEMBL7423059 | 0.90 | ALDH1A1 (0.54) | ALDH1A1SLC2A1NPC1RAB9ARXRB | |
| SCHEMBL29543577 | 0.82 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL1719205 | 0.82 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL29410879 | 0.78 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL368131 | 0.78 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| Hydrochloric Acid SCHEMBL28389380 | 0.77 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL16526953 | 0.77 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| Trifluoroacetic Acid SCHEMBL7438438 | 0.76 | ALDH1A1 (0.34) | ALDH1A1SLC2A1NPC1RAB9ARXRB |
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-1192135-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076970-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000077027-A2 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2000-12-21 | — | — | WO | disclosed |