Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2039866 | 0.85 | FDPS (0.51) | FDPSHSPA5FFAR2SLC6A3ALDH1A1 | |
| SCHEMBL21540053 | 0.80 | FDPS (0.46) | FDPSCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2033995 | 0.79 | FDPS (0.53) | FDPSCYP2D6CYP2C19SLC6A3ALDH1A1 | |
| SCHEMBL10603764 | 0.79 | FDPS (0.45) | FDPSCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3339063 | 0.79 | FDPS (0.45) | FDPSCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20817117 | 0.78 | FDPS (0.51) | FDPSCYP2D6CYP2C19SLC6A3ALDH1A1 | |
| SCHEMBL2035542 | 0.77 | — | — | |
| SCHEMBL2046046 | 0.75 | FDPS (0.41) | FDPSCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2047231 | 0.74 | FDPS (0.51) | FDPSCYP2C19SLC6A3ALDH1A1PKM | |
| SCHEMBL7179963 | 0.73 | FDPS (0.44) | FDPSCYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2513098-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075515-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | WO | disclosed |