Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 7/20 | 0.35 |
| ▸ | MMP2 | P08253 | 6/20 | 0.35 |
| ▸ | MMP8 | P22894 | 4/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 4/20 | 0.34 |
| ▸ | MMP1 | P03956 | 3/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21392084 | 0.79 | CYP3A4 (0.41) | CYP3A4CYP2C9PKMCYP2C19IRAK4 | |
| SCHEMBL19211480 | 0.70 | PARP1 (0.39) | PARP1NPC1ALDH1A1TP53MAPT | |
| SCHEMBL22758543 | 0.69 | NPSR1 (0.33) | CYP3A4CYP2C9PKMCYP2C19PARP1 | |
| SCHEMBL22758544 | 0.69 | CYP3A4 (0.41) | CYP3A4CYP2C9PKMCYP2C19MMP13 | |
| SCHEMBL22762471 | 0.69 | L3MBTL1 (0.34) | CYP3A4CYP2C9PKMCYP2C19IRAK4 | |
| SCHEMBL5737129 | 0.68 | GAA (0.46) | CYP3A4CYP2C9PKMCYP2C19MMP13 | |
| SCHEMBL14235509 | 0.68 | MMP1 (0.41) | CYP3A4CYP2C9PKMCYP2C19MMP13 | |
| SCHEMBL4033679 | 0.68 | PARP1 (0.46) | PARP1IRAK4L3MBTL1NPC1ALDH1A1 | |
| SCHEMBL24849581 | 0.67 | MMP2 (0.33) | CYP3A4CYP2C9PKMCYP2C19IRAK4 | |
| SCHEMBL7111770 | 0.67 | PARP1 (0.43) | PARP1L3MBTL1NPC1ALDH1A1TP53 |
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-112839938-B | Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors | 斯泰普制药股份公司 | 2023-07-07 | — | — | CN | disclosed |