Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7494419 | 1.00 | HRH3 (0.38) | HRH3CHRM3RIPK1RORCKDM1A | |
| SCHEMBL7932020 | 1.00 | HRH3 (0.38) | HRH3CHRM3RIPK1RORCKDM1A | |
| SCHEMBL7932022 | 1.00 | HRH3 (0.38) | HRH3CHRM3RIPK1RORCKDM1A | |
| SCHEMBL7497243 | 1.00 | HRH3 (0.38) | HRH3CHRM3RIPK1RORCKDM1A | |
| SCHEMBL7505137 | 0.81 | CHRM3 (0.34) | HRH3CHRM3RORCTACR1 | |
| SCHEMBL7545959 | 0.79 | HRH3 (0.38) | HRH3CHRM3RIPK1RORCKDM1A | |
| SCHEMBL7496849 | 0.73 | CCR5 (0.44) | RIPK1 | |
| SCHEMBL7938506 | 0.73 | CCR5 (0.44) | RIPK1 | |
| SCHEMBL7882945 | 0.72 | CCR5 (0.46) | RORCTACR1 | |
| SCHEMBL4108008 | 0.72 | CCR5 (0.46) | RORCTACR1 |
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 |