Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL13093040 | 0.80 | MC4R (0.46) | SLC6A3SLC6A2SLC6A4MC4R | |
| SCHEMBL13093223 | 0.80 | MC4R (0.46) | SLC6A3SLC6A2SLC6A4NPC1MC4R | |
| SCHEMBL13093222 | 0.80 | MC4R (0.46) | SLC6A3SLC6A2SLC6A4NPC1MC4R | |
| SCHEMBL13093026 | 0.77 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4NPC1TDP1 | |
| SCHEMBL13093215 | 0.77 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4NPC1TDP1 | |
| SCHEMBL13093274 | 0.74 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4CYP2D6 | |
| SCHEMBL13093259 | 0.74 | SLC6A2 (0.41) | SLC6A3SLC6A2SLC6A4MC4R | |
| SCHEMBL13093088 | 0.74 | SLC6A2 (0.41) | SLC6A3SLC6A2SLC6A4MC4R | |
| SCHEMBL13093025 | 0.74 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4MC4R | |
| SCHEMBL13093032 | 0.71 | MC4R (0.44) | MC4R |
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-2010123006-A1 | PYRROLIDINE COMPOUND | 武田薬品工業株式会社 (JP) | 2010-10-28 | — | — | WO | disclosed |