Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.42 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7493959 | 0.76 | HRH3 (0.48) | HRH3CYP2D6CYP2C19HRH4MCHR1 | |
| SCHEMBL7500129 | 0.72 | ACHE (0.46) | SIGMAR1 | |
| SCHEMBL24023622 | 0.72 | CYP2D6 (0.89) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL1997330 | 0.72 | CYP2D6 (0.89) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL24023625 | 0.72 | CYP2D6 (0.89) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL11585348 | 0.72 | SIGMAR1 (0.77) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL8327 | 0.72 | SIGMAR1 (0.77) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL26532 | 0.72 | SIGMAR1 (0.77) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL11141692 | 0.72 | SIGMAR1 (0.77) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 | |
| SCHEMBL688047 | 0.72 | SIGMAR1 (0.77) | HRH3CYP2D6CYP2C19HRH4SIGMAR1 |
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-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |