Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
The experimentally established mechanism targets of Trifluoromethanesulfonamide. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonamide SCHEMBL28047636 | 1.00 | LMNA (0.50) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonamide SCHEMBL3315782 | 0.88 | CA2 (0.44) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL28047635 | 0.84 | MEN1 (0.52) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL29160398 | 0.83 | CYP3A4 (0.56) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonic Acid SCHEMBL3785097 | 0.83 | MEN1 (0.50) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Trifluoromethanesulfonamide SCHEMBL4359429 | 0.80 | CA2 (0.50) | LMNACA2CA1CA7CA13 | |
| Choline SCHEMBL3788003 | 0.79 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL933567 | 0.79 | MEN1 (0.46) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL29633468 | 0.79 | MEN1 (0.46) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL28499286 | 0.78 | CYP3A4 (0.50) | LMNAMEN1KMT2ACYP3A4SLC5A7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105315164-A | Environment-friendly choline ionic liquid and preparation method therefor | DALIAN CHEMICAL PHYSICS INST | 2016-02-10 | — | — | CN | claimed |
| CN-105315164-A | Environment-friendly choline ionic liquid and preparation method therefor | DALIAN CHEMICAL PHYSICS INST | 2016-02-10 | — | — | CN | disclosed |