Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 2/20 | 0.44 |
| ▸ | F12 | P00748 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15947640 | 0.85 | PLAU (0.54) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL29937111 | 0.81 | CYP2A6 (0.44) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL3790627 | 0.77 | GRM5 (0.51) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL15940603 | 0.76 | ADORA2A (0.54) | CYP2A6PLAUF12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL8116929 | 0.75 | ADORA2A (0.53) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL17370957 | 0.75 | CHAT (0.49) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL15947643 | 0.75 | CYP2A6 (0.49) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL194554 | 0.73 | PLAU (0.50) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL2852412 | 0.73 | PLAU (0.50) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL2418686 | 0.73 | CYP2A6 (0.50) | CYP2A6PLAUF12NCF1NOS3 |
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-2542239-A1 | USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME | Université Joseph Fourier (FR) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011107709-A1 | USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME | UNIVERSITE JOSEPH FOURIER (FR) | 2011-09-09 | — | — | WO | disclosed |