Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL4641757 | 0.88 | MLYCD (0.35) | MLYCDDNMT1HPGDALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4641948 | 0.88 | GPR3 (0.36) | GPR3HPGDALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4643916 | 0.87 | KCNH2 (0.44) | GPR3KCNH2CA1CA2CA5A | |
| Trifluoromethanesulfonic Acid SCHEMBL6023776 | 0.87 | GPR3 (0.34) | GPR3MAPTKDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL4641439 | 0.86 | GPR3 (0.35) | GPR3HPGDALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4641835 | 0.86 | GPR3 (0.31) | GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL4644616 | 0.84 | KCNH2 (0.44) | GPR3KCNH2ALDH1A1MEN1KMT2A | |
| Trifluoromethanesulfonic Acid SCHEMBL4643748 | 0.84 | HTT (0.40) | GPR3KCNH2ALDH1A1MAPTL3MBTL1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4643962 | 0.84 | GPR3 (0.31) | GPR3KCNH2 | |
| SCHEMBL4644451 | 0.83 | DNMT1 (0.32) | DNMT1ALDH1A1MAPTL3MBTL1MEN1 |
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-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 |
| EP-1443042-A1 | HYBRID ONIUM SALT | Wako Pure Chemical Industries, Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |