Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.47 |
| ▸ | DRD3 | P35462 | 8/20 | 0.47 |
| ▸ | DRD4 | P21917 | 8/20 | 0.47 |
| ▸ | HTR1A | P08908 | 7/20 | 0.47 |
| ▸ | DRD1 | P21728 | 7/20 | 0.47 |
| ▸ | DRD5 | P21918 | 7/20 | 0.47 |
| ▸ | SCD5 | Q86SK9 | 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 | |
|---|---|---|---|---|
| SCHEMBL7500512 | 1.00 | DRD2 (0.47) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL21148627 | 0.80 | DRD3 (0.71) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL21148630 | 0.76 | DRD3 (0.54) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL28225266 | 0.76 | DRD2 (0.61) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL21147738 | 0.71 | DRD2 (0.51) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL30010653 | 0.71 | DRD2 (0.51) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL13974997 | 0.71 | DRD2 (0.51) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL7826637 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL13975026 | 0.69 | CCR5 (0.46) | DRD2DRD3DRD4HTR1ADRD1 | |
| SCHEMBL8040229 | 0.68 | HTR2C (0.36) | DRD2DRD3DRD4DRD1 |
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 |