Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL10958030 | 0.86 | AR (0.35) | PDE3BPDE3AARALDH1A1HPGD | |
| SCHEMBL10957578 | 0.79 | ADORA3 (0.42) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL10957936 | 0.75 | CYP1A2 (0.47) | PDE3BPDE3AARALDH1A1HPGD | |
| SCHEMBL10750346 | 0.75 | ADRA2A (0.42) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL10767817 | 0.72 | ALDH1A1 (0.43) | PDE3BPDE3AALDH1A1HSD17B10KDM4E | |
| SCHEMBL10956542 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| SCHEMBL10778414 | 0.70 | PDE3B (0.40) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL10958062 | 0.69 | KDM4E (0.40) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| SCHEMBL10958050 | 0.69 | ADRA2A (0.39) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL10957654 | 0.69 | KDM4E (0.51) | ALDH1A1HPGDHSD17B10KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4639518-A | CARDIOTONIC AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-01-27 | — | — | US | disclosed |
| EP-0176333-A2 | Substituted quinazolinediones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1986-04-02 | — | — | EP | disclosed |