Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 9/20 | 0.51 |
| ▸ | MC5R | P33032 | 7/20 | 0.51 |
| ▸ | MC3R | P41968 | 7/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8331046 | 0.94 | CA12 (0.50) | MC4RMC5RMC3RCA12CA1 | |
| SCHEMBL8325252 | 0.86 | HDAC1 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27075772 | 0.85 | MC4R (0.61) | MC4RMC5RMC3R | |
| SCHEMBL3795459 | 0.85 | MC4R (0.61) | MC4RMC5RMC3R | |
| SCHEMBL8328142 | 0.84 | HDAC1 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8329746 | 0.81 | SOAT1 (0.43) | MC4RMC5RMC3RHDAC3HDAC4 | |
| SCHEMBL3710417 | 0.80 | NAMPT (0.58) | MC4RMC5RMC3RHDAC3HDAC4 | |
| SCHEMBL8328955 | 0.79 | HDAC3 (0.43) | MC4RMC5RMC3RHDAC3HDAC4 | |
| SCHEMBL7609127 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL8327663 | 0.79 | ROCK1 (0.44) | CA12CA1CA2CA4ROCK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760368-B1 | PYRIMIDINE DERIVATIVES | NISSHIN FLOUR MILLING CO (JP) | 1999-07-28 | — | — | EP | disclosed |
| US-5736550-A | TREATMENT OF GASTROINTESTINAL TRACT DISORDERS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0760368-A1 | NOVEL PYRIMIDINE DERIVATIVE | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1997-03-05 | — | — | EP | disclosed |