Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 5/20 | 0.32 |
| ▸ | MMP13 | P45452 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758544 | 0.79 | CYP3A4 (0.41) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL22758513 | 0.78 | TSHR (0.40) | PKMPOLBTSHR | |
| SCHEMBL21392151 | 0.78 | FFAR4 (0.37) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL22758463 | 0.75 | CYP3A4 (0.37) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL30882869 | 0.72 | CYP2C19 (0.38) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL21392141 | 0.72 | ANO1 (0.39) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL28476061 | 0.72 | CYP2C19 (0.38) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL20745051 | 0.69 | SMN1; SMN2 (0.42) | CYP2C19KMT2AMAPTMEN1 | |
| SCHEMBL21392084 | 0.69 | CYP3A4 (0.41) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL29187117 | 0.68 | KMT2A (0.30) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020245664-A1 | N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | STEP PHARMA S.A.S. (FR) | 2020-12-10 | — | — | WO | disclosed |