Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1729214 | 0.78 | MC4R (0.42) | NOS3NOS1NOS2CNR2MC4R | |
| SCHEMBL12261511 | 0.78 | MC4R (0.42) | NOS3NOS1NOS2CNR2MC4R | |
| SCHEMBL1728842 | 0.78 | MC4R (0.42) | NOS3NOS1NOS2CNR2MC4R | |
| SCHEMBL10216809 | 0.76 | GRIA4 (0.39) | CNR2HSD11B1POLBACP3MAPK1 | |
| SCHEMBL10217193 | 0.75 | IDO1 (0.40) | NOS3NOS1NOS2CNR2MC4R | |
| SCHEMBL12944872 | 0.75 | MC4R (0.40) | NOS3NOS1NOS2CNR2MC4R | |
| SCHEMBL19265273 | 0.75 | CNR2 (0.35) | NOS3NOS1NOS2CNR2MC4R | |
| Hydrochloric Acid SCHEMBL3448219 | 0.75 | GRIA4 (0.39) | CNR2HSD11B1POLBALDH1A1TDP1 | |
| SCHEMBL10216817 | 0.74 | MC4R (0.41) | CNR2MC4RL3MBTL1ACP3CYP1A2 | |
| SCHEMBL334979 | 0.74 | P2RX7 (0.47) | CNR2MC4RHSD11B1POLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2408751-B1 | Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof | BAYER IP GMBH (DE) | 2017-08-23 | — | — | EP | disclosed |