Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL25008755 | 0.78 | KDM5A (0.42) | NPSR1MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL4668551 | 0.77 | SMN1; SMN2 (0.46) | HRH3CYP1A2CYP2C19MAPTALDH1A1 | |
| SCHEMBL4666100 | 0.76 | MAPT (0.47) | NPSR1MAPTALDH1A1L3MBTL1KDM4E | |
| SCHEMBL25008712 | 0.75 | ALDH1A1 (0.48) | CYP1A2MAPK1CYP2C19MAPTALDH1A1 | |
| SCHEMBL4666587 | 0.74 | NPC1 (0.49) | NOS3NOS2NOS1HRH3MAPT | |
| SCHEMBL15210050 | 0.72 | SLC9A1 (0.43) | MAPTKDM4EP2RX7 | |
| SCHEMBL2029110 | 0.72 | ALDH1A1 (0.47) | CYP1A2CYP2C19MAPTALDH1A1KDM4E | |
| SCHEMBL4665764 | 0.72 | NOS3 (0.34) | NOS3NOS2NOS1HRH3CYP1A2 | |
| SCHEMBL1013253 | 0.71 | CYP1A2 (0.61) | CYP1A2MAPK1CYP2C19MAPTALDH1A1 | |
| SCHEMBL4665822 | 0.71 | CA12 (0.46) | NOS3NOS2CYP1A2MAPK1CYP2C19 |
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-1928455-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | Bayer Healthcare, LLC (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |