Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19253462 | 0.75 | CYP4F2 (0.38) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 | |
| SCHEMBL2010151 | 0.69 | ALDH1A1 (0.34) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 | |
| SCHEMBL29517969 | 0.69 | CYP2C19 (0.35) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 | |
| SCHEMBL1157613 | 0.69 | CYP2C19 (0.30) | CYP2C19 | |
| SCHEMBL3942980 | 0.68 | CYP2C19 (0.32) | ALDH1A1LMNAPOLBCYP2C19MEN1 | |
| SCHEMBL1671040 | 0.66 | CYP4F2 (0.35) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 | |
| SCHEMBL12862503 | 0.63 | GAA (0.38) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 | |
| SCHEMBL25246730 | 0.62 | ALDH1A1 (0.41) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 | |
| SCHEMBL19117998 | 0.62 | — | — | |
| SCHEMBL1128591 | 0.62 | KDM5B (0.40) | ALDH1A1LMNAPOLBCYP2C19CYP4F2 |
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-117098763-A | TYK2 inhibitors | 渤健马萨诸塞州股份有限公司 | 2023-11-21 | — | — | CN | disclosed |