Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL711351 | 0.84 | GAA (0.52) | ALDH1A1LMNAHPGDKDM4ECYP3A4 | |
| SCHEMBL4687948 | 0.77 | RAB9A (0.48) | ALDH1A1TP53KDM4EMAPK1GAA | |
| Bromide SCHEMBL7372571 | 0.77 | MAOA (0.65) | ALDH1A1LMNAHPGDMAOAMAOB | |
| SCHEMBL4744990 | 0.75 | SMN1; SMN2 (0.48) | ALDH1A1LMNAHPGDKDM4EGAA | |
| SCHEMBL23303748 | 0.75 | TAS1R3 (0.60) | ALDH1A1LMNAHPGDMAOAMAOB | |
| SCHEMBL15706705 | 0.75 | TAS1R3 (0.60) | ALDH1A1LMNAHPGDMAOAMAOB | |
| SCHEMBL1106938 | 0.75 | MAOA (0.67) | ALDH1A1LMNAHPGDMAOAMAOB | |
| SCHEMBL29788361 | 0.74 | CYP26A1 (0.49) | ALDH1A1MAOAMAOBPTGS2TP53 | |
| SCHEMBL27822263 | 0.74 | ALDH1A1 (0.53) | ALDH1A1LMNAHPGDMAOAMAOB | |
| SCHEMBL2997026 | 0.73 | KDM4E (0.50) | ALDH1A1LMNAHPGDMAOAMAOB |
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 |