Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3800228 | 0.85 | HSP90AA1 (0.36) | NPSR1HSP90AA1KMT2AHSP90AB1 | |
| SCHEMBL3794382 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL13159984 | 0.77 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1 | |
| SCHEMBL3798258 | 0.77 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1 | |
| SCHEMBL13160151 | 0.77 | HSP90AB1 (0.54) | HSP90AA1HSP90AB1 | |
| SCHEMBL13160171 | 0.75 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| SCHEMBL3800221 | 0.74 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1 | |
| SCHEMBL12481396 | 0.74 | GAA (0.50) | NPSR1ALDH1A1HSP90AA1CYP2D6ATM | |
| SCHEMBL13159960 | 0.74 | HSP90AB1 (0.39) | HSP90AA1HSP90AB1 | |
| SCHEMBL13160276 | 0.74 | HSP90AA1 (0.36) | HSP90AA1HSP90AB1 |
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-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |