Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 19/20 | 0.78 |
| ▸ | CCR1 | P32246 | 1/20 | 0.78 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.78 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.71 |
| ▸ | CCR5 | P51681 | 3/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL14100791 | 1.00 | CCR2 (0.78) | CCR2CCR1TMEM97SIGMAR1KCNH2 | |
| SCHEMBL14100772 | 0.91 | CCR2 (0.70) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL14100895 | 0.90 | CCR2 (0.69) | CCR2CCR1TMEM97SIGMAR1 | |
| SCHEMBL4945156 | 0.90 | CCR2 (0.69) | CCR2CCR5 | |
| SCHEMBL14101024 | 0.90 | CCR2 (0.69) | CCR2CCR5 | |
| SCHEMBL4944709 | 0.90 | CCR2 (0.69) | CCR2CCR5 | |
| SCHEMBL14100898 | 0.90 | CCR2 (0.69) | CCR2CCR1TMEM97SIGMAR1KCNH2 | |
| Mk-0812 SCHEMBL17385573 | 0.88 | CCR2 (1.00) | CCR2CCR1TMEM97SIGMAR1KCNH2 | |
| Mk-0812 SCHEMBL17385579 | 0.88 | CCR2 (1.00) | CCR2CCR1TMEM97SIGMAR1KCNH2 | |
| Mk-0812 SCHEMBL17385575 | 0.88 | CCR2 (1.00) | CCR2CCR1TMEM97SIGMAR1KCNH2 |
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-1501803-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |