Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.43 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | STAT6 | P42226 | 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 | |
|---|---|---|---|---|
| SCHEMBL2227969 | 0.94 | HRH4 (0.45) | HRH4CYP51A1SMYD3PDE10ADRD2 | |
| SCHEMBL2227562 | 0.90 | DRD2 (0.42) | HRH4CYP51A1SMYD3PDE10ADRD2 | |
| SCHEMBL6876456 | 0.88 | HRH4 (0.53) | HRH4CYP51A1SMYD3PDE10ADRD2 | |
| SCHEMBL1550512 | 0.84 | DRD2 (0.42) | HRH4CYP51A1SMYD3PDE10ADRD2 | |
| SCHEMBL2228283 | 0.84 | CYP51A1 (0.48) | HRH4CYP51A1DRD2AKR1C3STAT6 | |
| SCHEMBL2229048 | 0.80 | CYP51A1 (0.43) | HRH4CYP51A1DRD2AKR1C3STAT6 | |
| SCHEMBL2229050 | 0.80 | CYP51A1 (0.43) | HRH4CYP51A1DRD2AKR1C3STAT6 | |
| SCHEMBL6876529 | 0.80 | HRH4 (0.42) | HRH4SMYD3PDE10A | |
| SCHEMBL1550827 | 0.78 | PYGL (0.44) | CYP51A1SMYD3STAT6 | |
| SCHEMBL1550577 | 0.78 | TP53 (0.39) | HRH4SMYD3PDE10ADRD2AKR1C3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011091410-A1 | TRPV4 ANTAGONISTS | GLAXOS SMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | disclosed |