Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | RAPGEF3 | O95398 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7665084 | 0.91 | HRH3 (0.34) | HRH3ALDH1A1HPGDCXCR4OPRD1 | |
| SCHEMBL7659514 | 0.86 | RAPGEF3 (0.46) | HRH3RAPGEF3OPRD1 | |
| SCHEMBL7655188 | 0.75 | HRH3 (0.42) | HRH3 | |
| SCHEMBL7660195 | 0.70 | HRH3 (0.47) | HRH3ALDH1A1RAPGEF3 | |
| SCHEMBL6733915 | 0.69 | HRH3 (0.40) | HRH3RAPGEF3 | |
| SCHEMBL6734676 | 0.68 | HRH3 (0.36) | HRH3ALDH1A1CXCR4 | |
| SCHEMBL7653635 | 0.66 | OPRM1 (0.39) | HPGDOPRD1MLYCD | |
| SCHEMBL7658683 | 0.66 | HRH3 (0.42) | HRH3OPRD1 | |
| SCHEMBL7654559 | 0.66 | MLYCD (0.39) | ALDH1A1HPGDOPRD1MLYCD | |
| SCHEMBL6734631 | 0.65 | RAPGEF3 (0.38) | HRH3RAPGEF3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002085861-A1 | IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |
| US-6469002-B1 | COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. | 2002-10-22 | — | — | US | disclosed |