Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4668899 | 1.00 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL23538793 | 1.00 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL4668901 | 1.00 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL30307832 | 0.87 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL31485194 | 0.86 | AKR1C3 (0.47) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL23247129 | 0.86 | AKR1C3 (0.47) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL23247188 | 0.86 | AKR1C3 (0.47) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL1017691 | 0.83 | AKR1C3 (0.45) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL11963292 | 0.82 | FAAH (0.40) | AKR1C3FAAHRORCSMN1; SMN2 | |
| SCHEMBL23247148 | 0.81 | AKR1C3 (0.43) | AKR1C3MAPTPOLB |
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-1966151-A1 | POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070398-A1 | POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2007-06-21 | — | — | WO | disclosed |