Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 18/20 | 0.58 |
| ▸ | DRD4 | P21917 | 18/20 | 0.58 |
| ▸ | DRD3 | P35462 | 17/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7546565 | 0.83 | CYP1A2 (0.58) | DRD2DRD4DRD3CYP1A2CYP3A4 | |
| SCHEMBL7543120 | 0.80 | GAA (0.51) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8786997 | 0.73 | DRD2 (1.00) | DRD2DRD4DRD3 | |
| SCHEMBL8786342 | 0.71 | DRD4 (1.00) | DRD2DRD4DRD3 | |
| SCHEMBL27208764 | 0.69 | DRD2 (0.60) | DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL23531661 | 0.68 | DRD2 (0.60) | DRD2DRD4DRD3 | |
| SCHEMBL8787039 | 0.68 | DRD2 (1.00) | DRD2DRD4DRD3 | |
| SCHEMBL30015144 | 0.68 | DRD2 (0.48) | DRD2DRD4DRD3 | |
| SCHEMBL9035553 | 0.68 | DRD2 (0.60) | DRD2DRD4DRD3 | |
| SCHEMBL8786475 | 0.68 | DRD2 (1.00) | DRD2DRD4DRD3 |
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 4 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 |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |