Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 6/20 | 0.49 |
| ▸ | MC5R | P33032 | 5/20 | 0.49 |
| ▸ | MC3R | P41968 | 4/20 | 0.49 |
| ▸ | MC1R | Q01726 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL19851748 | 0.80 | CASR (0.41) | MC4RMC5RMC3RMAPK1 | |
| SCHEMBL11935007 | 0.68 | MC5R (0.88) | MC4RMC5RMC3RMC1RCA12 | |
| SCHEMBL30380055 | 0.67 | MC5R (1.00) | MC4RMC5RMC3RMC1RCA12 | |
| SCHEMBL7245092 | 0.67 | MC5R (1.00) | MC4RMC5RMC3RMC1RCA12 | |
| SCHEMBL6745878 | 0.66 | MC5R (0.54) | MC4RMC5RMC3RMC1RCA12 | |
| SCHEMBL30054430 | 0.66 | CYP1A2 (0.59) | MC4RMC5RMC3RMC1RMAPK1 | |
| SCHEMBL1035887 | 0.66 | CYP1A2 (0.59) | MC4RMC5RMC3RMC1RMAPK1 | |
| SCHEMBL12752954 | 0.65 | CYP1A2 (0.53) | MC4RMC5RMC3RMAPK1IDO1 | |
| Hydrochloric Acid SCHEMBL6417293 | 0.65 | CYP1A2 (0.57) | MC4RMC5RMC3RMC1RMAPK1 | |
| SCHEMBL130904 | 0.63 | MC4R (0.59) | MC4RMC5RMC3RHDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018026866-A1 | LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION | NEUROPORE THERAPIES, INC. (US) | 2018-02-08 | — | — | WO | disclosed |