Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8371407 | 0.80 | HTR2C (0.42) | HTR2CFADS1TRPA1CNR2DRD1 | |
| SCHEMBL31426315 | 0.80 | PDE3B (0.42) | HTR2CFADS1TRPA1MAOAMAOB | |
| SCHEMBL9112011 | 0.73 | HTR2C (0.36) | HTR2CFADS1TRPA1CNR2DRD1 | |
| SCHEMBL127374 | 0.72 | FADS1 (0.46) | HTR2CFADS1TRPA1MAOAMAOB | |
| SCHEMBL29615409 | 0.72 | FADS1 (0.46) | HTR2CFADS1TRPA1MAOAMAOB | |
| SCHEMBL9112969 | 0.71 | HTR2C (0.34) | HTR2CFADS1TRPA1DRD1 | |
| SCHEMBL9114591 | 0.71 | HTR2C (0.34) | HTR2CFADS1TRPA1 | |
| SCHEMBL463119 | 0.70 | HTR2C (0.33) | HTR2CFADS1TRPA1HTR2A | |
| SCHEMBL9109755 | 0.70 | HTR2C (0.33) | HTR2CFADS1TRPA1DRD1 | |
| SCHEMBL9113672 | 0.70 | HTR2C (0.33) | HTR2CFADS1TRPA1KCNA3 |
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-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |