Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4687994 | 0.84 | TSHR (0.54) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4688799 | 0.84 | NPC1 (0.49) | ALDH1A1KDM4EMAPK1CYP2C9NPC1 | |
| SCHEMBL4744066 | 0.79 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPK1CYP2C9CYP2C19 | |
| SCHEMBL4744070 | 0.79 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPK1CYP2C9CYP2C19 | |
| SCHEMBL4687368 | 0.78 | MAPT (0.52) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4688985 | 0.78 | SMN1; SMN2 (0.49) | ALDH1A1MAPK1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL4690925 | 0.78 | SMN1; SMN2 (0.49) | ALDH1A1MAPK1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL4688141 | 0.77 | SCN9A (0.47) | ALDH1A1CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL4692214 | 0.77 | MAPT (0.50) | ALDH1A1KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL4688953 | 0.76 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 |
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-1581496-A4 | 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME | GILEAD SCIENCES INC (US) | 2008-04-23 | — | — | EP | disclosed |
| EP-1581496-A2 | 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME | GILEAD SCIENCES, INC. (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004050613-A2 | 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME | GILEAD SCIENCES, INC. (US) | 2004-06-17 | — | — | WO | disclosed |