Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3996597 | 1.00 | POLB (0.43) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL25423797 | 0.95 | POLB (0.48) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL5062176 | 0.95 | POLB (0.48) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL16538428 | 0.95 | POLB (0.48) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL4968512 | 0.89 | AKR1C3 (0.47) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL20590901 | 0.89 | AKR1C3 (0.47) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL1967273 | 0.89 | AKR1C3 (0.47) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL17395384 | 0.87 | AKR1C3 (0.46) | POLBL3MBTL1AKR1C3HCRTR1HCRTR2 | |
| SCHEMBL29481514 | 0.85 | POLB (0.48) | POLBL3MBTL1 | |
| SCHEMBL7501298 | 0.84 | S1PR1 (0.43) | POLBL3MBTL1NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2268285-A1 | THERAPEUTIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009108507-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |