Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 2/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL4643483 | 0.90 | HTT (0.31) | HTTSMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL4643549 | 0.88 | SOS1 (0.37) | HTTSMN1; SMN2LMNASOS1FFAR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL6022880 | 0.87 | SOS1 (0.36) | HTTSMN1; SMN2LMNASOS1FFAR1 | |
| SCHEMBL6660657 | 0.87 | LTA4H (0.34) | HTTSMN1; SMN2LMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL4647330 | 0.86 | KCNH2 (0.33) | KCNH2GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL4644731 | 0.86 | KCNH2 (0.30) | KCNH2GPR3 | |
| SCHEMBL6023028 | 0.86 | HTT (0.33) | HTTSMN1; SMN2LMNAFFAR1 | |
| Perchlorate SCHEMBL4644963 | 0.84 | HTT (0.31) | HTTSMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL4645187 | 0.84 | HTT (0.35) | HTTSMN1; SMN2LMNASOS1FFAR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4643751 | 0.84 | HTT (0.33) | HTTSMN1; SMN2LMNASOS1KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1443042-B1 | HYBRID ONIUM SALT | WAKO PURE CHEM IND LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7101918-B2 | Hybrid type onium salt | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20050020710-A1 | Hybrid onium salt | WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) | 2005-01-27 | — | — | US | disclosed |
| EP-1443042-A1 | HYBRID ONIUM SALT | Wako Pure Chemical Industries, Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |