Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3434631 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL2470763 | 0.75 | XDH (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL455980 | 0.73 | — | — | |
| SCHEMBL596317 | 0.71 | — | — | |
| SCHEMBL61322 | 0.71 | — | — | |
| SCHEMBL10461628 | 0.71 | — | — | |
| SCHEMBL8764416 | 0.71 | — | — | |
| SCHEMBL5469028 | 0.71 | LMNA (0.33) | SMN1; SMN2 | |
| SCHEMBL1134431 | 0.70 | ACHE (0.30) | — | |
| SCHEMBL3263937 | 0.69 | TP53 (0.32) | ALDH1A1TP53CYP3A4ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6683029-B1 | Halopyrimidines | BAYER AKTIENGESELLSCHAFT (DE) | 2004-01-27 | — | — | US | disclosed |