Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL15362421 | 1.00 | HSD11B1 (0.40) | HSD11B1MAOAMAOBGPR119MCHR1 | |
| SCHEMBL15362420 | 0.89 | MCHR1 (0.32) | MCHR1ROCK2 | |
| SCHEMBL17011136 | 0.89 | MCHR1 (0.32) | MCHR1ROCK2 | |
| SCHEMBL15362485 | 0.87 | HTT (0.36) | GPR119MCHR1ROCK2 | |
| SCHEMBL15362424 | 0.87 | MCHR1 (0.35) | MCHR1ROCK2ALDH1A1MAPK1 | |
| SCHEMBL17011137 | 0.87 | MCHR1 (0.35) | MCHR1ROCK2ALDH1A1MAPK1 | |
| SCHEMBL12166224 | 0.82 | HSD11B1 (0.41) | HSD11B1MAOAMAOBGPR119MCHR1 | |
| SCHEMBL15362425 | 0.79 | GPR119 (0.32) | GPR119MCHR1KMT2AMAPK1 | |
| SCHEMBL17011139 | 0.79 | GPR119 (0.32) | GPR119MCHR1KMT2AMAPK1 | |
| SCHEMBL17011349 | 0.78 | ROCK2 (0.48) | MCHR1ROCK2ALDH1A1 |
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-9108920-B2 | Diazeniumdiolate heterocyclic derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-08-18 | — | — | US | disclosed |