Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.54 |
| ▸ | CCR5 | P51681 | 1/20 | 0.54 |
| ▸ | CCR8 | P51685 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 6/20 | 0.37 |
| ▸ | CBFB | Q13951 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15322772 | 0.80 | CCR1 (0.50) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL8738510 | 0.73 | CCR1 (0.54) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL182529 | 0.73 | CCR1 (1.00) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL29395249 | 0.73 | CCR1 (1.00) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL4656344 | 0.71 | KDM4E (0.45) | CCR1CCR5CCR8NISCHCYP1A2 | |
| Hydrochloric Acid SCHEMBL29903189 | 0.71 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL28212407 | 0.71 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL9135460 | 0.71 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| Methane SCHEMBL21386924 | 0.71 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL8746042 | 0.71 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2838534-A2 | SUBSTITUTED BENZAMIDES AND THEIR USES | The Board of Trustees of The Leland Stanford Junior University (US) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013155338-A2 | SUBSTITUTED BENZAMIDES AND THEIR USES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |