Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7495516 | 0.85 | ACHE (0.56) | CXCR4BCHEACHE | |
| SCHEMBL7687976 | 0.78 | CCR3 (0.61) | CXCR4BCHEACHECCR3 | |
| Hydrochloric Acid SCHEMBL7683518 | 0.77 | BCHE (0.60) | CXCR4BCHEACHECCR3 | |
| SCHEMBL7501904 | 0.77 | DRD2 (0.63) | SIGMAR1CXCR4BCHEACHECCR3 | |
| SCHEMBL7499854 | 0.77 | MEN1 (0.54) | CXCR4 | |
| SCHEMBL27616228 | 0.76 | CCR3 (0.61) | CXCR4ACHECCR3 | |
| SCHEMBL6747206 | 0.75 | CXCR4 (0.65) | CXCR4BCHEACHECCR3 | |
| Hydrochloric Acid SCHEMBL9537230 | 0.74 | BCHE (0.63) | CXCR4BCHEACHECCR3 | |
| SCHEMBL6657922 | 0.74 | ABL1 (0.68) | SIGMAR1 | |
| SCHEMBL7683729 | 0.74 | CCR3 (0.55) | CXCR4BCHEACHECCR3 |
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 |