Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | GAA | P10253 | 6/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4512370 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP3A4 | |
| SCHEMBL31301103 | 0.78 | NPC1 (0.53) | CYP1A2CES1ALDH1A1MAPTNPC1 | |
| SCHEMBL29139832 | 0.78 | SMN1; SMN2 (0.42) | CYP1A2CYP3A4CES1ALDH1A1GAA | |
| SCHEMBL1200124 | 0.78 | NPC1 (0.53) | CYP1A2CES1ALDH1A1MAPTNPC1 | |
| SCHEMBL13114103 | 0.78 | NPC1 (0.39) | CYP1A2CYP3A4CES1ALDH1A1ALOX12 | |
| SCHEMBL12843388 | 0.74 | CES1 (0.39) | CYP1A2CYP3A4CES1ALDH1A1GAA | |
| SCHEMBL23181452 | 0.70 | CES1 (0.35) | CYP1A2CYP3A4CES1ALDH1A1GAA | |
| SCHEMBL19775784 | 0.70 | CES1 (0.39) | CYP1A2CYP3A4CES1ALDH1A1GAA | |
| SCHEMBL19435728 | 0.69 | NPC1 (0.50) | CYP1A2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4766870 | 0.68 | CES1 (0.41) | CES1ALDH1A1MAPTNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1934181-A2 | KINASE INHIBITORS | Devgen NV (BE) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007042321-A2 | KINASE INHIBITORS | DEVGEN N.V. (BE) | 2007-04-19 | — | — | WO | disclosed |