Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 11/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
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 SCHEMBL5048085 | 0.85 | MAOA (0.38) | MAOAPTGS2KDM4EALDH1A1NPC1 | |
| Trifluoromethanesulfonic Acid SCHEMBL6881212 | 0.76 | CYP2A6 (0.42) | MAOAKDM4EALDH1A1LMNAGLA | |
| Dibenzofuran SCHEMBL21611805 | 0.76 | MAOA (0.48) | MAOAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL5046429 | 0.74 | CDC14B (0.32) | MAOAKDM5A | |
| SCHEMBL29945017 | 0.74 | MAOA (0.61) | MAOAPTGS2KDM4EALDH1A1NPC1 | |
| SCHEMBL1788224 | 0.73 | MAOA (1.00) | MAOAPTGS2KDM4EALDH1A1NPC1 | |
| SCHEMBL9349902 | 0.72 | ALOX5 (0.46) | MAOAKDM4EALDH1A1NPC1LMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL6249524 | 0.71 | CYP1A2 (0.41) | KDM4E | |
| SCHEMBL29547534 | 0.70 | MAOA (0.64) | MAOAPTGS2KDM4EALDH1A1NPC1 | |
| SCHEMBL5782106 | 0.70 | MAOA (0.64) | MAOAPTGS2KDM4EALDH1A1NPC1 |
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-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |