Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.47 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7544127 | 0.82 | CCR5 (0.54) | CCR5SIGMAR1 | |
| SCHEMBL29024640 | 0.78 | HRH1 (0.39) | GABRA1GABRB2HRH1HTR2CSLC6A2 | |
| SCHEMBL7545344 | 0.74 | CCR5 (0.47) | GABRA1GABRB2CCR5HRH1GABRG2 | |
| Hydrochloric Acid SCHEMBL7547701 | 0.73 | CCR5 (0.47) | GABRA1GABRB2CCR5HRH1GABRG2 | |
| SCHEMBL17262690 | 0.72 | HRH1 (0.51) | GABRA1GABRB2HRH1GABRG2GABRB3 | |
| SCHEMBL23082937 | 0.71 | EPHX2 (0.41) | CCR5 | |
| SCHEMBL5456417 | 0.70 | CCR5 (0.48) | GABRA1GABRB2CCR5 | |
| SCHEMBL13543059 | 0.70 | GABRA1 (0.46) | GABRA1GABRB2HRH1GABRG2GABRB3 | |
| SCHEMBL5764148 | 0.70 | CCR5 (0.48) | GABRA1GABRB2CCR5HRH1GABRG2 | |
| Hydrochloric Acid SCHEMBL5765781 | 0.69 | GABRA1 (0.48) | GABRA1GABRB2CCR5 |
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 |