Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL144326 | 0.79 | KMT2A (0.65) | KMT2AHTR7HTR2BMEN1GAA | |
| SCHEMBL13135967 | 0.74 | HSD17B10 (0.46) | ALDH1A1KMT2AHTR2BKDM4EHSD17B10 | |
| SCHEMBL11792200 | 0.72 | HDAC6 (0.45) | ALDH1A1KMT2AKDM4EHSD17B10MEN1 | |
| SCHEMBL5551044 | 0.71 | GSK3B (0.48) | ALDH1A1HTR2BHSD17B10LMNACASP3 | |
| SCHEMBL11801695 | 0.69 | HSD17B10 (0.47) | ALDH1A1KMT2AHTR2BHSD17B10GAA | |
| SCHEMBL5619249 | 0.69 | PSEN1 (0.55) | ALDH1A1KMT2APSEN1PSEN2APH1B | |
| Phthalimide SCHEMBL8092178 | 0.69 | GSK3B (0.62) | ALDH1A1KMT2AKDM4EHSD17B10MEN1 | |
| SCHEMBL11844924 | 0.69 | GSK3B (0.50) | ALDH1A1HTR2BKDM4EHSD17B10HPGD | |
| SCHEMBL10708943 | 0.68 | HTR7 (0.57) | KMT2AHTR7HTR2BMEN1GAA | |
| Phthalimide SCHEMBL1132405 | 0.67 | GSK3B (0.75) | ALDH1A1KMT2AKDM4EHSD17B10MEN1 |
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-4843077-A | Isoquinoline derivatives having renal vasodilating properties and/or cardiotonic properties and/or phosphodiesterase inhibiting properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-06-27 | — | — | 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 |