Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.40 |
| ▸ | PDE1A | P54750 | 3/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 3/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10668309 | 0.94 | CYP3A4 (0.42) | CYP3A4PDE1BPDE1APDE1CNPBWR1 | |
| SCHEMBL10509390 | 0.87 | ADRA1A (0.40) | KCNH2MCHR1KAT2BADRA1AHRH1 | |
| SCHEMBL10510092 | 0.84 | FLT3 (0.43) | NPBWR1ROCK2KCNH2MCHR1KAT2B | |
| SCHEMBL10510083 | 0.84 | FLT3 (0.43) | NPBWR1ROCK2KCNH2MCHR1KAT2B | |
| Bromide SCHEMBL10668066 | 0.83 | CNR2 (0.44) | CYP3A4PDE1BPDE1APDE1CNPBWR1 | |
| Bromide SCHEMBL10581715 | 0.83 | FLT3 (0.42) | NPBWR1ROCK2KCNH2MCHR1KAT2B | |
| Bromide SCHEMBL10581709 | 0.83 | FLT3 (0.42) | NPBWR1ROCK2KCNH2MCHR1KAT2B | |
| Bromide SCHEMBL10583382 | 0.81 | MAOA (0.43) | NPBWR1ROCK2KAT2BHRH3 | |
| Bromide SCHEMBL10583385 | 0.81 | MAOA (0.43) | NPBWR1ROCK2KAT2BHRH3 | |
| Hydrochloric Acid SCHEMBL11550853 | 0.80 | SMPD1 (0.47) | CYP3A4SMPD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4769369-A | Anti-allergy 1(2H)-phthalazinones | PENNWALT CORPORATION (US) | 1988-09-06 | — | — | US | disclosed |