Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.54 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BRD2 | P25440 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10414690 | 0.86 | BRD4 (0.50) | BRD4CREBBPHTR1ADRD2HTR2A | |
| SCHEMBL5328631 | 0.84 | BRD4 (0.62) | BRD4CREBBPBRD2 | |
| SCHEMBL7423824 | 0.83 | BRD4 (0.60) | BRD4CREBBPHTR1ADRD2HTR2A | |
| SCHEMBL9768375 | 0.83 | BRD4 (0.56) | BRD4CREBBPBRD2 | |
| Dimethylamine SCHEMBL7417726 | 0.77 | BRD4 (0.46) | BRD4CREBBPBRD2ITGB3ITGAV | |
| SCHEMBL7526652 | 0.77 | PDE3B (0.47) | HTR1ADRD2HTR2AHTR2CHTR7 | |
| SCHEMBL7409687 | 0.76 | BRD4 (0.57) | BRD4CREBBPBRD2 | |
| SCHEMBL7415706 | 0.75 | BRD4 (0.49) | BRD4CREBBP | |
| SCHEMBL7417723 | 0.75 | BRD4 (0.44) | BRD4CREBBPBRD2ITGB3ITGAV | |
| SCHEMBL7434007 | 0.73 | BRD4 (0.50) | BRD4CREBBPBRD2 |
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-4868300-A | INOTROPIC AGENTS, CONGESTIVE HEART FAILURE | RORER PHARMACEUTICAL CORPORATION (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0247177-A4 | BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. | RORER INTERNAT OVERSEAS INC (US) | 1988-04-06 | — | — | EP | disclosed |
| EP-0247177-A1 | BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) | 1987-12-02 | — | — | EP | disclosed |
| WO-1987003201-A1 | BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1987-06-04 | — | — | WO | disclosed |