Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3A | Q14432 | 7/20 | 0.61 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL7377189 | 0.76 | PDE3B (1.00) | PDE3APDE3BCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16150009 | 0.71 | PDE3A (0.55) | PDE3APDE3BSMN1; SMN2ALDH1A1PDE4B | |
| SCHEMBL2847376 | 0.71 | PDE3A (0.55) | PDE3APDE3BPDE4B | |
| SCHEMBL16150403 | 0.71 | PDE3A (0.55) | PDE3APDE3BPDE4B | |
| SCHEMBL16149750 | 0.71 | PDE3A (0.55) | PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7380645 | 0.71 | PDE3A (0.54) | PDE3APDE3BSMN1; SMN2ALDH1A1PDE4B | |
| SCHEMBL7382252 | 0.69 | PDE3B (0.58) | PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL2844753 | 0.69 | PDE3A (0.52) | PDE3APDE3BKDM4EPDE4B | |
| SCHEMBL16150746 | 0.69 | PDE3A (0.52) | PDE3APDE3BKDM4EALDH1A1PDE4B | |
| SCHEMBL7277988 | 0.69 | PDE3B (0.60) | PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4661496-A | Cardiotonic and antihypertensive 2,4-dihydro-5-[(substituted)phenyl]-4,4-disubstituted-3H-pyrazol-3-ones | WARNER-LAMBERT COMPANY (US) | 1987-04-28 | — | — | US | disclosed |
| US-4550119-A | 2,4-Dihydro-5-[(substituted)phenyl]-4,4-disubstituted-3H-pyrazol-3-ones | WARNER-LAMBERT COMPANY (US) | 1985-10-29 | — | — | US | disclosed |
| US-4526982-A | 2,4-Dihydro-5-[(substituted)phenyl]-4,4-disubstituted-3H-pyrazol-3-ones | WARNER-LAMBERT COMPANY, A CORP. OF DEL. | 1985-07-02 | — | — | US | disclosed |
| EP-0126651-A2 | 2,4-Dihydro-5-((substituted)phenyl)-4,4-disubstituted-3H-pyrazol-3-ones, 2,4-dihydro-5-((substituted)phenyl)-4, 4-disubstituted-3H-pyrazol-3-thiones, and a process for producing the same | WARNER-LAMBERT COMPANY (US) | 1984-11-28 | — | — | EP | disclosed |