Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | PDE4A | P27815 | 2/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7253321 | 0.93 | PDE4A (0.52) | CALM1MAPTKDM4EPDE4APDE4B | |
| SCHEMBL2967916 | 0.91 | CALM1 (0.45) | CALM1MAPTKDM4EGAALMNA | |
| SCHEMBL77974 | 0.88 | CA2 (0.61) | KDM4ETSHRCA2ALDH1A1PIK3CD | |
| SCHEMBL7311427 | 0.86 | MAPT (0.46) | MAPTKDM4ETP53LMNAPDE4A | |
| SCHEMBL7367373 | 0.85 | CA2 (0.46) | CALM1MAPTKDM4EGAALMNA | |
| SCHEMBL2972012 | 0.85 | CALM1 (0.41) | CALM1MAPTKDM4EGAATP53 | |
| SCHEMBL21328358 | 0.84 | CA2 (0.52) | KDM4ETSHRCA2ALDH1A1PIK3CD | |
| SCHEMBL13250648 | 0.84 | FDPS (0.49) | CALM1MAPTKDM4ECA2MEN1 | |
| SCHEMBL7320184 | 0.83 | S1PR2 (0.51) | ALDH1A1HPGD | |
| SCHEMBL10827884 | 0.83 | ALDH1A1 (0.46) | CALM1MAPTKDM4EGAATP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252721-B1 | 4-NITROGEN SUBSTITUTED ISOQUINOLINOL COMPOUNDS HAVING CARDIOTONIC, PHOSPHODIESTERASE FRACTION III INHIBITING PROPERTIES AND/OR RENAL VASODILATING PROPERTIES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-10-02 | — | — | EP | disclosed |
| 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 |
| EP-0252721-A1 | 4-Nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-01-13 | — | — | EP | disclosed |
| US-4714705-A | 4-nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-12-22 | — | — | US | disclosed |