Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 SCHEMBL144167 | 0.97 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL28849341 | 0.94 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL332728 | 0.84 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30958127 | 0.83 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CA2TSHRATR | |
| Trifluoroacetic Acid SCHEMBL30776680 | 0.83 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CA2TSHRATR | |
| Trifluoroacetic Acid SCHEMBL30657138 | 0.82 | CA1 (0.47) | ALDH1A1L3MBTL1CA2TSHRATR | |
| Trifluoroacetic Acid SCHEMBL529369 | 0.82 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| Trifluoroacetic Acid SCHEMBL3845260 | 0.82 | CA1 (0.47) | ALDH1A1L3MBTL1CA2TSHRATR | |
| Trifluoroacetic Acid SCHEMBL10510205 | 0.81 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL19856417 | 0.81 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CA2POLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020022804-A1 | ADHESIVE COMPOSITION | 주식회사 엘지화학 | 2020-01-30 | — | — | WO | disclosed |