Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.35 |
| ▸ | JAK1 | P23458 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL876714 | 0.89 | CCR5 (0.38) | CCR5JAK2JAK1PDK2ADORA2A | |
| SCHEMBL876437 | 0.84 | F10 (0.33) | CCR5JAK2JAK1PDK2F10 | |
| SCHEMBL878508 | 0.82 | F10 (0.34) | CCR5JAK2JAK1ADORA2AADORA1 | |
| SCHEMBL876499 | 0.80 | SLC2A1 (0.35) | CCR5JAK2JAK1PDK2F10 | |
| SCHEMBL875680 | 0.78 | F10 (0.33) | CCR5JAK2JAK1PDK2F10 | |
| SCHEMBL878301 | 0.78 | CCR5 (0.35) | CCR5JAK2JAK1ADORA2AADORA1 | |
| SCHEMBL876131 | 0.78 | POLB (0.34) | CCR5JAK2JAK1F10MCHR1 | |
| SCHEMBL878507 | 0.78 | CCR5 (0.35) | CCR5JAK2JAK1ADORA2AADORA1 | |
| SCHEMBL875758 | 0.76 | F10 (0.34) | CCR5JAK2JAK1F10MCHR1 | |
| SCHEMBL877422 | 0.76 | F10 (0.34) | CCR5JAK2JAK1F10MCHR1 |
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-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |