Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | XPO1 | O14980 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9515051 | 1.00 | GAA (0.38) | GAAMAPTALDH1A1NPC1NPSR1 | |
| SCHEMBL9515054 | 0.86 | EPHX1 (0.41) | GAAMAPTALDH1A1SMN1; SMN2XPO1 | |
| SCHEMBL9515044 | 0.86 | EPHX1 (0.41) | GAAMAPTALDH1A1SMN1; SMN2XPO1 | |
| SCHEMBL9514242 | 0.81 | GAA (0.41) | GAAMAPTALDH1A1SMN1; SMN2XPO1 | |
| SCHEMBL9514236 | 0.81 | GAA (0.41) | GAAMAPTALDH1A1SMN1; SMN2XPO1 | |
| SCHEMBL9512946 | 0.79 | GAA (0.43) | GAAMAPTALDH1A1NPC1NPSR1 | |
| SCHEMBL9512935 | 0.79 | GAA (0.43) | GAAMAPTALDH1A1NPC1NPSR1 | |
| SCHEMBL11264470 | 0.77 | MAPT (0.38) | GAAMAPTALDH1A1NPC1NPSR1 | |
| SCHEMBL11251240 | 0.74 | KMT2A (0.39) | GAAMAPTALDH1A1NPC1NPSR1 | |
| SCHEMBL7061962 | 0.71 | TP53 (0.42) | GAAMAPTALDH1A1NPC1NPSR1 |
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-0212340-B1 | 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-27 | — | — | EP | disclosed |
| US-4839348-A | HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-06-13 | — | — | US | disclosed |
| EP-0212340-A1 | 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-03-04 | — | — | EP | disclosed |