Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | ACP1 | P24666 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3093696 | 0.80 | CYP2C19 (0.43) | CYP2C19FDPSALDH1A1TSHRNOS1 | |
| SCHEMBL2376213 | 0.79 | CYP1A2 (0.47) | CYP2C19FDPSALDH1A1TSHRNOS1 | |
| SCHEMBL2376209 | 0.79 | FDPS (0.42) | CYP2C19FDPSALDH1A1TSHRNOS1 | |
| Hydrochloric Acid SCHEMBL28585523 | 0.78 | ACP1 (0.45) | CYP2C19FDPSALDH1A1TSHRNOS1 | |
| SCHEMBL12854153 | 0.78 | CYP2C19 (0.41) | CYP2C19FDPSALDH1A1TSHRCYP2C9 | |
| SCHEMBL3511229 | 0.76 | CYP2C19 (0.40) | CYP2C19FDPSALDH1A1TSHRNOS1 | |
| SCHEMBL3511886 | 0.75 | FDPS (0.42) | CYP2C19FDPSALDH1A1TSHRCYP2C9 | |
| SCHEMBL2038651 | 0.72 | FDPS (0.47) | CYP2C19FDPSALDH1A1TSHRNOS1 | |
| SCHEMBL5155454 | 0.71 | LMNA (0.49) | CYP2C19SLC6A3CA1CA2CA5A | |
| SCHEMBL28316100 | 0.71 | FDPS (0.39) | CYP2C19FDPSALDH1A1CYP2C9CYP1A2 |
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 3 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 |
| US-4431652-A | UROGENITAL DISORDERS; KIDNEY AND BLADDER STONES; PROPHYLAXIS; OXIDASE ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1984-02-14 | — | — | US | disclosed |