Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | CD38 | P28907 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10635587 | 0.80 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10468430 | 0.62 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10635580 | 0.62 | MAPT (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10468461 | 0.60 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28896933 | 0.60 | NAMPT (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10549444 | 0.59 | SMN1; SMN2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10162595 | 0.58 | LOXL2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10470201 | 0.58 | GAA (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1976009 | 0.58 | CYP3A4 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30317655 | 0.58 | CYP3A4 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |