Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23538793 | 0.83 | AKR1C3 (0.48) | AKR1C3HRH3DRD2DRD4DRD3 | |
| SCHEMBL4668904 | 0.83 | AKR1C3 (0.48) | AKR1C3HRH3DRD2DRD4DRD3 | |
| SCHEMBL4668901 | 0.83 | AKR1C3 (0.48) | AKR1C3HRH3DRD2DRD4DRD3 | |
| SCHEMBL23247188 | 0.82 | AKR1C3 (0.47) | AKR1C3DRD2DRD4DRD3GFER | |
| SCHEMBL23247129 | 0.82 | AKR1C3 (0.47) | AKR1C3DRD2DRD4DRD3GFER | |
| SCHEMBL3498139 | 0.81 | HDAC1 (0.49) | AKR1C3NPC1KMT2AMEN1FAAH | |
| SCHEMBL8220205 | 0.81 | HTT (0.48) | RAB9AKMT2AALDH1A1LMNAMEN1 | |
| SCHEMBL21963853 | 0.78 | ALDH1A1 (0.43) | AKR1C3NPC1KMT2AALDH1A1LMNA | |
| SCHEMBL23247148 | 0.77 | AKR1C3 (0.43) | AKR1C3KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL5034132 | 0.77 | CHRNB2 (0.56) | AKR1C3 |
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-2271649-A1 | BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF | Wyeth LLC (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009108838-A1 | BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF | WYETH (US) | 2009-09-03 | — | — | WO | disclosed |