Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.39 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | HSPA8 | P11142 | 1/20 | 0.37 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.37 |
| ▸ | HSPA2 | P54652 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | 0.90 | HRH4 (0.45) | DRD2HRH4PDE10ACYP51A1SMYD3 | |
| SCHEMBL6873804 | 0.90 | HRH4 (0.43) | DRD2HRH4PDE10ACYP51A1SMYD3 | |
| SCHEMBL1550512 | 0.89 | DRD2 (0.42) | DRD2HRH4PDE10ACYP51A1SMYD3 | |
| SCHEMBL6876456 | 0.84 | HRH4 (0.53) | DRD2HRH4PDE10ACYP51A1SMYD3 | |
| SCHEMBL1550577 | 0.82 | TP53 (0.39) | DRD2HRH4PDE10ASMYD3STAT6 | |
| SCHEMBL1550827 | 0.82 | PYGL (0.44) | CYP51A1SMYD3STAT6PYGL | |
| SCHEMBL1550154 | 0.82 | HRH4 (0.38) | DRD2HRH4PDE10ASMYD3STAT6 | |
| SCHEMBL1550169 | 0.82 | ALOX15 (0.44) | HRH4PDE10ACYP51A1SMYD3PYGL | |
| SCHEMBL1550291 | 0.81 | CYP51A1 (0.42) | HRH4PDE10ACYP51A1SMYD3STAT6 | |
| SCHEMBL1549798 | 0.81 | AR (0.42) | DRD2HRH4PDE10ACYP51A1SMYD3 |
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-2011091410-A1 | TRPV4 ANTAGONISTS | GLAXOS SMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | claimed |
| WO-2011091410-A1 | TRPV4 ANTAGONISTS | GLAXOS SMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | disclosed |