Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9745156 | 0.86 | GAA (0.43) | KMT2ANPSR1GAAMAPTHPGD | |
| SCHEMBL9745279 | 0.79 | CACNA1B (0.47) | KMT2AMAPTMAPK1CYP1A2CYP3A4 | |
| SCHEMBL9745992 | 0.78 | PDE4B (0.47) | KMT2ANPSR1GAAMAPTHPGD | |
| SCHEMBL9745272 | 0.71 | HIF1A (0.45) | KMT2AMAPTHPGDKDM4EALDH1A1 | |
| SCHEMBL9744737 | 0.68 | CACNA1C (0.56) | KMT2ANPSR1MAPTHTTMAPK1 | |
| SCHEMBL14262742 | 0.66 | ADORA3 (0.51) | KMT2ANPSR1GAAMAPTHPGD | |
| SCHEMBL10515946 | 0.66 | CYP1A2 (0.62) | KMT2ANPSR1MAPTMAPK1PDE4B | |
| SCHEMBL9745152 | 0.64 | CACNA1B (0.51) | KMT2AMAPTHPGDKDM4EALDH1A1 | |
| SCHEMBL9502243 | 0.62 | ADORA3 (0.73) | KMT2ANPSR1GAAMAPTHPGD | |
| SCHEMBL11877354 | 0.61 | CACNA1F (0.54) | KMT2AMAPTMAPK1CYP1A2CYP3A4 |
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-0215250-B1 | 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-12-30 | — | — | EP | disclosed |
| US-4845113-A | USEFUL IN RADICAL SCAVENGING THERAPY | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-07-04 | — | — | US | disclosed |
| EP-0215250-A1 | 2-Substituted-1,4-dihydropyridines, method for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-03-25 | — | — | EP | disclosed |