Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | AURKA | O14965 | 1/20 | 0.59 |
| ▸ | TTK | P33981 | 1/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.59 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.59 |
| ▸ | PDE2A | O00408 | 1/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.49 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1364633 | 0.85 | ALDH1A1 (0.69) | CYP1A2ALDH1A1CYP3A4ALKCYP2A6 | |
| SCHEMBL29633361 | 0.85 | ALDH1A1 (0.69) | CYP1A2ALDH1A1CYP3A4ALKCYP2A6 | |
| Hydrochloric Acid SCHEMBL1493357 | 0.83 | ALDH1A1 (0.67) | CYP1A2ALDH1A1CYP3A4ALKCYP2A6 | |
| SCHEMBL1392639 | 0.83 | ADORA3 (0.56) | CYP1A2ALDH1A1AURKATTKAURKB | |
| SCHEMBL11242864 | 0.81 | PDE3B (0.61) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11229356 | 0.79 | ALDH1A1 (0.56) | CYP1A2ALDH1A1CYP3A4ALKCYP2A6 | |
| Hydrochloric Acid SCHEMBL11246455 | 0.79 | PDE3B (0.58) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7312649 | 0.77 | MAPT (0.51) | CYP1A2ALDH1A1AURKATTKAURKB | |
| SCHEMBL4853168 | 0.77 | ALDH1A1 (0.58) | CYP1A2ALDH1A1CYP3A4ALKCYP2A6 | |
| SCHEMBL11245554 | 0.76 | PRMT5 (0.47) | CYP1A2ALDH1A1CYP3A4ALKCYP2A6 |
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-4346221-A | Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones | STERLING DRUG INC. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4338446-A | Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates | STERLING DRUG INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4305943-A | 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics | STERLING DRUG INC. (US) | 1981-12-15 | — | — | US | disclosed |
| US-4304776-A | 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics | STERLING DRUG INC. (US) | 1981-12-08 | — | — | US | disclosed |