Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
| ▸ | PYGM | P11217 | 1/20 | 0.34 |
| ▸ | STAT6 | P42226 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | BCAT1 | P54687 | 1/20 | 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 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4059766 | 0.91 | DRD2 (0.37) | MMP2MMP14DRD2CYP51A1CCKAR | |
| SCHEMBL8004750 | 0.87 | MMP2 (0.33) | MMP2MMP14DRD2MCHR1ESR1 | |
| SCHEMBL19856911 | 0.85 | ESR1 (0.40) | DRD2MCHR1ESR1CYP51A1CCKAR | |
| SCHEMBL19856912 | 0.85 | ESR1 (0.40) | DRD2MCHR1ESR1CYP51A1CCKAR | |
| SCHEMBL19856946 | 0.84 | DRD2 (0.38) | DRD2MCHR1ESR1CYP51A1CCKAR | |
| SCHEMBL19856948 | 0.84 | DRD2 (0.38) | DRD2MCHR1ESR1CYP51A1CCKAR | |
| SCHEMBL4050168 | 0.83 | DRD2 (0.36) | DRD2MCHR1ESR1CYP51A1PYGL | |
| SCHEMBL19856857 | 0.83 | DRD2 (0.39) | DRD2MCHR1ESR1CYP51A1PYGL | |
| SCHEMBL19856858 | 0.83 | DRD2 (0.39) | DRD2MCHR1ESR1CYP51A1PYGL | |
| SCHEMBL4058360 | 0.82 | DRD2 (0.36) | DRD2MCHR1CYP51A1PYGLPYGM |
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 |