Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.45 |
| ▸ | ADH5 | P11766 | 4/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | EGLN3 | Q9H6Z9 | 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 | |
|---|---|---|---|---|
| SCHEMBL8297460 | 0.83 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL10470201 | 0.83 | GAA (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL600477 | 0.83 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL10622131 | 0.80 | TBXAS1 (0.63) | CYP3A4KMT2ATBXAS1ADH5BAZ2B | |
| SCHEMBL1976009 | 0.79 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL5280849 | 0.79 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL30317655 | 0.79 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL10550020 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL28823761 | 0.76 | NAMPT (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL17352303 | 0.75 | HTT (0.65) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4954494-A | Cardiotonic and inotropic agents | RORER PHARMACEUTICAL CORPORATION (US) | 1990-09-04 | — | — | US | disclosed |
| WO-1989008108-A1 | PYRIDYL-PYRIDAZINONE AND PYRIDYL-PYRAZOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONGESTIVE HEART FAILURE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-09-08 | — | — | WO | disclosed |
| US-4826835-A | INOTROPIC AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |