Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13735642 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP2C9HPGDMEN1 | |
| SCHEMBL950271 | 0.90 | CYP2C19 (0.45) | CYP1A2CYP2C19CYP2C9HPGDMEN1 | |
| SCHEMBL950272 | 0.90 | CYP2C19 (0.45) | CYP1A2CYP2C19CYP2C9HPGDMEN1 | |
| SCHEMBL5962069 | 0.83 | CYP2C19 (0.41) | CYP1A2CYP2C19CYP2C9HPGDMEN1 | |
| SCHEMBL25623926 | 0.74 | CYP2C19 (0.41) | CYP1A2CYP2C19CYP2C9HPGDMEN1 | |
| SCHEMBL16187811 | 0.72 | CYP2C19 (0.51) | CYP1A2CYP2C19CYP2C9HPGDMEN1 | |
| Acetone SCHEMBL4238945 | 0.70 | LMNA (0.35) | ALDH1A1LMNA | |
| Acetic Acid SCHEMBL11286573 | 0.68 | FFAR3 (0.39) | ALDH1A1 | |
| Dimethylformamide SCHEMBL2184967 | 0.68 | TSHR (0.50) | — | |
| Methyl Alcohol SCHEMBL27604198 | 0.67 | — | — |
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-2699569-A2 | AMINOPYRIMIDINE KINASE INHIBITORS | Jasco Pharmaceuticals LLC (US) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012145617-A9 | AMINOPYRIMIDINE KINASE INHIBITORS | Jasco Pharmaceuticals, LLC (US) | 2014-02-20 | — | — | WO | disclosed |
| WO-2012145617-A2 | AMINOPYRIMIDINE KINASE INHIBITORS | Jasco Pharmaceuticals, LLC (US) | 2012-10-26 | — | — | WO | disclosed |