Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 13/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL17011348 | 0.87 | MCHR1 (0.45) | MCHR1MAPTALDH1A1DRD2DRD3 | |
| SCHEMBL17011347 | 0.86 | GRM2 (0.40) | ROCK2MCHR1DRD2DRD3KCNH2 | |
| SCHEMBL12166228 | 0.80 | ROCK2 (0.47) | ROCK2MCHR1MAPTDRD2DRD3 | |
| SCHEMBL17011350 | 0.80 | MCHR1 (0.38) | ROCK2MCHR1KCNH2 | |
| SCHEMBL17011138 | 0.78 | HSD11B1 (0.40) | ROCK2MCHR1ALDH1A1 | |
| SCHEMBL15362421 | 0.78 | HSD11B1 (0.40) | ROCK2MCHR1ALDH1A1 | |
| SCHEMBL15362424 | 0.76 | MCHR1 (0.35) | ROCK2MCHR1MAPTALDH1A1 | |
| SCHEMBL17011137 | 0.76 | MCHR1 (0.35) | ROCK2MCHR1MAPTALDH1A1 | |
| SCHEMBL10186968 | 0.73 | MCHR1 (0.41) | MCHR1MAPTALDH1A1 | |
| SCHEMBL15362485 | 0.71 | HTT (0.36) | ROCK2MCHR1 |
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 |