Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | BAX | Q07812 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4643982 | 0.98 | LTA4H (0.42) | LTA4HTSHRNR1H2BAXMAOA | |
| Perchlorate SCHEMBL4643122 | 0.93 | LTA4H (0.35) | LTA4HTSHRNR1H2BAXMAOA | |
| Perchlorate SCHEMBL4643309 | 0.91 | LTA4H (0.37) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL6658051 | 0.90 | HTT (0.44) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL6660652 | 0.90 | HTT (0.44) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL686239 | 0.85 | LTA4H (0.55) | LTA4HTSHRNR1H2BAXMAOA | |
| Trifluoromethanesulfonic Acid SCHEMBL6022880 | 0.84 | SOS1 (0.36) | CA1CA2SOS1CA9KMT2A | |
| SCHEMBL686232 | 0.83 | LTA4H (0.60) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL2993064 | 0.83 | LTA4H (0.60) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL3455003 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1443042-B1 | HYBRID ONIUM SALT | WAKO PURE CHEM IND LTD (JP) | 2008-08-13 | — | — | EP | disclosed |