Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Trifluoromethanesulfonic 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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL1750663 | 1.00 | CA2 (0.45) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28271598 | 0.97 | CA2 (0.43) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL1932986 | 0.90 | CA2 (0.43) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL2290380 | 0.89 | ALDH1A1 (0.45) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28243370 | 0.89 | ALDH1A1 (0.45) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL27964313 | 0.89 | ALDH1A1 (0.45) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL9460589 | 0.89 | ALDH1A1 (0.45) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.89 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.89 | ALDH1A1 (0.50) | CA2CA1ALDH1A1L3MBTL1CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.89 | — | — |
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-2011101644-A1 | TRIAZOLO [4, 5 - B] PYRIDIN DERIVATIVES | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2011-08-25 | — | — | WO | disclosed |