Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8114868 | 0.90 | MC4R (0.37) | MC4RMC3RMC1RNPY1RF2 | |
| SCHEMBL8119391 | 0.90 | NPY1R (0.43) | MC4RMC3RMC1RNPY1RF2 | |
| Hydrochloric Acid SCHEMBL8120993 | 0.89 | NPY1R (0.42) | MC4RMC3RMC1RNPY1RF2 | |
| Hydrochloric Acid SCHEMBL7040129 | 0.89 | CYP2C9 (0.37) | CYP2C19CYP2C9MC4RMC3RMC1R | |
| SCHEMBL8119124 | 0.87 | F2 (0.36) | MC4RMC3RMC1RNPY1RF2 | |
| SCHEMBL8112361 | 0.85 | MC4R (0.34) | MC4RMC3RMC1RALDH1A1F2 | |
| SCHEMBL8119098 | 0.85 | NPC1 (0.38) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8127580 | 0.83 | CYP2C19 (0.43) | CYP2C19CYP2C9CYP1A2CYP3A4HPGD | |
| SCHEMBL8120727 | 0.82 | F2 (0.39) | MC4RMC3RMC1RNPY1RF2 | |
| Hydrochloric Acid SCHEMBL8119411 | 0.80 | MC4R (0.33) | MC4RMC3RMC1RF2 |
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 |