Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 3/20 | 0.31 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL12903576 | 0.79 | HPGD (0.47) | DRD1CCR1CCR5CCR8NOS3 | |
| SCHEMBL23624004 | 0.77 | CCR1 (0.38) | DRD1CCR1CCR5CCR8NOS3 | |
| SCHEMBL11194894 | 0.75 | ADRB1 (0.54) | — | |
| SCHEMBL31068654 | 0.71 | ACACB (0.32) | ACACBHCRTR1HCRTR2 | |
| SCHEMBL23990294 | 0.69 | UHRF1 (0.42) | HCRTR1HCRTR2CCR1CCR5CCR8 | |
| SCHEMBL22308085 | 0.67 | CCR1 (0.37) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL16012007 | 0.67 | LOXL2 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL28411378 | 0.67 | CYP17A1 (0.50) | CYP17A1 | |
| SCHEMBL22842968 | 0.67 | HCRTR2 (0.37) | HCRTR1HCRTR2MKNK2 | |
| SCHEMBL28033606 | 0.67 | TRPA1 (0.47) | ACACBNOS3NOS2 |
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-2014114578-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | WO | disclosed |