Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | PRKCH | P24723 | 1/20 | 0.33 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28228488 | 0.81 | SIGMAR1 (0.45) | — | |
| Dalfampridine SCHEMBL28141942 | 0.71 | ADRB2 (0.46) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| SCHEMBL4173238 | 0.71 | ADRB2 (0.42) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| SCHEMBL894239 | 0.66 | ADRB2 (1.00) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| SCHEMBL74335 | 0.66 | ADRB2 (1.00) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL639824 | 0.64 | ADRB2 (0.96) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| Methylpiperazine SCHEMBL28292988 | 0.64 | CYP2D6 (0.50) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| SCHEMBL12893509 | 0.64 | MKNK1 (0.53) | HPGDTSHRCHRNB2CHRNA4 | |
| Bromide SCHEMBL9067259 | 0.63 | ADRB2 (0.92) | PLD1ADRB2NCF1CYP2D6CYP3A4 | |
| SCHEMBL22086464 | 0.62 | CHRM5 (0.52) | CYP2D6HPGDCHRM5CHKAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398795-A1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094762-A1 | HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |