Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL686358 | 1.00 | CCR2 (0.33) | CCR2CCR5CYP2D6CYP2C19 | |
| SCHEMBL14910434 | 0.81 | LMNA (0.35) | — | |
| SCHEMBL14909876 | 0.75 | CHRM1 (0.34) | — | |
| SCHEMBL609656 | 0.72 | ANPEP (0.42) | — | |
| SCHEMBL80781 | 0.71 | CYP2D6 (0.34) | CYP2D6CYP2C19 | |
| SCHEMBL14909757 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL4799165 | 0.68 | CCR2 (0.46) | CCR2CCR5CYP2D6CYP2C19 | |
| SCHEMBL3855163 | 0.68 | CCR2 (0.46) | CCR2CCR5CYP2D6CYP2C19 | |
| SCHEMBL14909281 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL28848429 | 0.67 | CTSS (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1667966-B1 | N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-02-29 | — | — | EP | disclosed |