Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 3/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5750281 | 0.83 | SMN1; SMN2 (0.37) | ALDH1A1CDC7DBF4SOAT1CUL4A | |
| SCHEMBL7785903 | 0.81 | HSD17B10 (0.39) | ALDH1A1CUL4ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8007427 | 0.79 | KDM4E (0.43) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7787933 | 0.75 | HCAR2 (0.35) | — | |
| SCHEMBL3346336 | 0.74 | ALDH1A1 (0.44) | ALDH1A1SOAT1CYP2C9CYP2C19CA2 | |
| SCHEMBL2327456 | 0.73 | TSHR (0.47) | ALDH1A1CDC7DBF4CYP2C9CYP2C19 | |
| SCHEMBL31351961 | 0.73 | TSHR (0.47) | ALDH1A1CDC7DBF4CYP2C9CYP2C19 | |
| SCHEMBL2952441 | 0.72 | SOAT1 (0.41) | ALDH1A1SOAT1TYMSCA12CA1 | |
| Butane SCHEMBL27752942 | 0.71 | HSP90AA1 (0.44) | ALDH1A1CDC7DBF4CYP2C9CYP2C19 | |
| SCHEMBL5685093 | 0.70 | ALDH1A1 (0.40) | ALDH1A1SOAT1CUL4ATYMSSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0964855-B1 | PROCESS FOR PREPARING SUBSTITUTED PYRIMIDINE DERIVATIVES | LONZA AG (CH) | 2001-10-17 | — | — | EP | disclosed |