Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
| ▸ | PYGM | P11217 | 1/20 | 0.34 |
| ▸ | STAT6 | P42226 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL7983935 | 0.95 | DRD2 (0.35) | DRD2MCHR1CYP51A1ALDH1A1HTR2C | |
| SCHEMBL4056416 | 0.92 | SMYD3 (0.39) | DRD2MCHR1CYP51A1ALDH1A1DRD3 | |
| SCHEMBL4057673 | 0.92 | PYGL (0.39) | DRD2CYP51A1DRD3PYGLSTAT6 | |
| SCHEMBL4058360 | 0.91 | DRD2 (0.36) | DRD2MCHR1CYP51A1ALDH1A1HTR2C | |
| SCHEMBL4055536 | 0.88 | DRD2 (0.35) | DRD2MCHR1CYP51A1ALDH1A1HTR2C | |
| SCHEMBL4057362 | 0.87 | PYGL (0.39) | DRD2CYP51A1DRD3PYGL | |
| SCHEMBL19856858 | 0.87 | DRD2 (0.39) | DRD2MCHR1CYP51A1HTR2CDRD3 | |
| SCHEMBL19856857 | 0.87 | DRD2 (0.39) | DRD2MCHR1CYP51A1HTR2CDRD3 | |
| SCHEMBL7995568 | 0.86 | DRD2 (0.34) | DRD2MCHR1CYP51A1ALDH1A1HTR2C | |
| SCHEMBL4051117 | 0.86 | ALOX15 (0.42) | CYP51A1PYGLPYGM |
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-2009111680-A1 | TRPV4 ANTAGONISTS | SMITHLINE BEECHAM CORPORATION (US) | 2009-09-11 | — | — | WO | claimed |
| WO-2009111680-A1 | TRPV4 ANTAGONISTS | SMITHLINE BEECHAM CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |