Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | CCKBR | P32239 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3249767 | 0.86 | CYP2D6 (0.41) | MEN1KMT2AKDM4ETSHROPRM1 | |
| SCHEMBL3240481 | 0.82 | PDE5A (0.37) | PDE5AMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL7995094 | 0.71 | ALDH1A1 (0.36) | MEN1KMT2ATSHRALDH1A1CYP1A2 | |
| SCHEMBL917364 | 0.70 | ALDH1A1 (0.52) | KDM4EOPRM1ALDH1A1OPRK1GAA | |
| SCHEMBL28209006 | 0.69 | PDE5A (0.41) | PDE5AMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL28296124 | 0.68 | GAA (0.35) | MEN1KMT2ATSHROPRM1ALDH1A1 | |
| SCHEMBL918901 | 0.67 | ALDH1A1 (0.51) | KDM4EOPRM1ALDH1A1OPRK1GAA | |
| SCHEMBL24177405 | 0.67 | MEN1 (0.45) | PDE5AMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL4881527 | 0.67 | PTPRA (0.36) | MEN1KMT2AKDM4ETSHRHTT | |
| SCHEMBL29365938 | 0.67 | MEN1 (0.45) | PDE5AMEN1KMT2AKDM4EHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646659-B1 | METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS | KIACTA S RL (CH) | 2014-05-14 | — | — | EP | disclosed |
| CN-101597196-A | Improved drug candidate and preparation method thereof | BELLUS HEALTH INTERNAT LTD (CH) | 2009-12-09 | — | — | CN | disclosed |
| CN-100528840-C | Improved drug candidates and methods for their preparation | NEUROCHEM INTERNAT LTD (CH) | 2009-08-19 | — | — | CN | disclosed |
| CN-1839117-A | Improved drug candidates and methods for their preparation | NEUROCHEM INTERNAT LTD (CH) | 2006-09-27 | — | — | CN | disclosed |
| EP-1646659-A2 | IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | Neurochem (International) Limited (CH) | 2006-04-19 | — | — | EP | disclosed |
| WO-2004113391-A2 | IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2004-12-29 | — | — | WO | disclosed |