Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8119391 | 0.91 | NPY1R (0.43) | MC4RMC3RMC1RF2NPY1R | |
| SCHEMBL8127587 | 0.90 | CYP2C19 (0.40) | MC4RMC3RMC1RF2TLR2 | |
| Hydrochloric Acid SCHEMBL7040129 | 0.90 | CYP2C9 (0.37) | MC4RMC3RMC1RF2TLR2 | |
| Hydrochloric Acid SCHEMBL8120993 | 0.90 | NPY1R (0.42) | MC4RMC3RMC1RF2NPY1R | |
| SCHEMBL8119124 | 0.88 | F2 (0.36) | MC4RMC3RMC1RF2TLR2 | |
| SCHEMBL8119098 | 0.86 | NPC1 (0.38) | — | |
| SCHEMBL8120727 | 0.83 | F2 (0.39) | MC4RMC3RMC1RF2TLR2 | |
| SCHEMBL8114860 | 0.82 | SPHK1 (0.43) | F2NPY1RCA1CA2 | |
| SCHEMBL8112361 | 0.82 | MC4R (0.34) | MC4RMC3RMC1RF2TLR2 | |
| Hydrochloric Acid SCHEMBL8119411 | 0.81 | MC4R (0.33) | MC4RMC3RMC1RF2ADAM17 |
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-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |