Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | SLC6A12 | P48065 | 3/20 | 0.32 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.32 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5031890 | 1.00 | NPSR1 (0.33) | NPSR1CCR2SMYD3SLC6A12SLC6A11 | |
| SCHEMBL5031894 | 1.00 | NPSR1 (0.33) | NPSR1CCR2SMYD3SLC6A12SLC6A11 | |
| SCHEMBL19715160 | 0.83 | CCR2 (0.36) | CCR2SMYD3SLC6A12SLC6A11SLC6A13 | |
| SCHEMBL3733095 | 0.81 | BTK (0.51) | BTK | |
| SCHEMBL3733091 | 0.81 | BTK (0.51) | BTK | |
| SCHEMBL3736905 | 0.80 | SLC6A12 (0.35) | CCR2SLC6A12SLC6A11SLC6A13 | |
| SCHEMBL3736900 | 0.80 | SLC6A12 (0.35) | CCR2SLC6A12SLC6A11SLC6A13 | |
| SCHEMBL5029588 | 0.77 | FFAR4 (0.41) | CCR2 | |
| SCHEMBL5029580 | 0.77 | FFAR4 (0.41) | CCR2 | |
| SCHEMBL3741790 | 0.77 | CCR2 (0.38) | CCR2SMYD3SLC6A12SLC6A11SLC6A13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656138-A4 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1656138-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005020899-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |