Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPYD | Q12882 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL170251 | 0.77 | DPYD (1.00) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL10696940 | 0.74 | DPYD (0.65) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL48228 | 0.74 | DPYD (0.65) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL1916591 | 0.72 | DPYD (0.63) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL1228163 | 0.72 | DPYD (0.63) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL190003 | 0.69 | DPYD (0.62) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL933037 | 0.69 | DPYD (0.59) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL8776005 | 0.69 | DPYD (0.59) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL65892 | 0.69 | DPYD (0.62) | DPYDMAPTALDH1A1GAALMNA | |
| SCHEMBL8966741 | 0.69 | DPYD (0.59) | DPYDMAPTALDH1A1GAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107208092-B | Chiral toxicity screening method | 罗氏创新中心哥本哈根有限公司 | 2021-09-10 | — | — | CN | disclosed |