Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12045659 | 0.78 | CYP1A2 (0.43) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL29265194 | 0.77 | SMN1; SMN2 (0.36) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL24597128 | 0.76 | EPHX2 (0.42) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL13819952 | 0.75 | CYP1A2 (0.44) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL26620243 | 0.74 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL5949770 | 0.74 | SMN1; SMN2 (0.44) | SMN1; SMN2TSHRCYP1A2TDP1KDM4E | |
| SCHEMBL14417843 | 0.74 | CYP1A2 (0.43) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL13804292 | 0.74 | CYP1A2 (0.43) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL28996429 | 0.73 | CYP1A2 (0.39) | SMN1; SMN2TSHRCYP1A2TDP1CYP2D6 | |
| SCHEMBL26806869 | 0.73 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP1A2TDP1CYP2D6EPHX2 |
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 |