Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL7312603 | 0.76 | DPP4 (0.33) | — | |
| SCHEMBL7305960 | 0.69 | KDM4E (0.38) | PDE3BPDE3AMT-CO2SMN1; SMN2 | |
| SCHEMBL7307941 | 0.67 | PDE3B (0.35) | PDE3BPDE3AMT-CO2SMN1; SMN2 | |
| SCHEMBL5022505 | 0.60 | CYP2C19 (0.54) | MT-CO2SMN1; SMN2 | |
| SCHEMBL31409463 | 0.60 | CYP2C19 (0.54) | MT-CO2SMN1; SMN2 | |
| SCHEMBL31083332 | 0.60 | CYP2C19 (0.54) | MT-CO2SMN1; SMN2 | |
| SCHEMBL31409467 | 0.60 | CYP2C19 (0.54) | MT-CO2SMN1; SMN2 | |
| SCHEMBL28968846 | 0.60 | POLB (0.43) | MT-CO2TAS1R3TAS1R1 | |
| SCHEMBL19286761 | 0.59 | CYP1A2 (0.52) | — | |
| SCHEMBL490924 | 0.59 | PKM (0.48) | MT-CO2 |
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-4880817-A | O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-11-14 | — | — | US | disclosed |
| US-4822800-A | Isoquinolinol compounds having cardiotonic and phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |