Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 10/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.52 |
| ▸ | AR | P10275 | 3/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8680966 | 1.00 | MAOB (0.52) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL8677834 | 0.85 | MAOB (0.56) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL9205670 | 0.76 | CYP19A1 (0.59) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL130267 | 0.76 | CYP19A1 (0.59) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL10360963 | 0.76 | MAOB (0.59) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL6703206 | 0.76 | MAOB (0.59) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL1242979 | 0.75 | KDM4E (0.65) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL4995906 | 0.72 | SLC22A12 (0.71) | CYP19A1KDM4ESLC22A12MAPTCYP3A4 | |
| SCHEMBL10361402 | 0.71 | MAOB (0.54) | MAOBCYP19A1ARADORA3KDM4E | |
| SCHEMBL11636342 | 0.71 | CYP19A1 (0.50) | MAOBCYP19A1ARADORA3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5721248-A | CALCIUM AGONISTS; TREATING CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-24 | — | — | US | disclosed |
| US-5545646-A | CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-08-13 | — | — | US | disclosed |
| EP-0630895-A1 | 4-Bicyclic substituted dihydropyridines, process for their preparation and their use in medicaments | BAYER AG (DE) | 1994-12-28 | — | — | EP | disclosed |