Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | CCR2 | P41597 | 3/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.36 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | FES | P07332 | 1/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | FER | P16591 | 1/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.35 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | CSK | P41240 | 1/20 | 0.35 |
| ▸ | ABL2 | P42684 | 1/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1762385 | 0.92 | CYP3A4 (0.79) | CYP3A4CCR2CYP2C9JAK1TSHR | |
| SCHEMBL306072 | 0.92 | CYP2C9 (0.65) | CYP3A4CCR2CYP2C9CYP2C19 | |
| SCHEMBL26066327 | 0.89 | CYP3A4 (0.56) | CYP3A4CCR2CYP2C9NUDT1TNNI3K | |
| SCHEMBL25023972 | 0.89 | CYP3A4 (0.64) | CYP3A4CCR2CYP2C9NUDT1MAP3K7 | |
| SCHEMBL12594265 | 0.88 | CYP3A4 (0.67) | CYP3A4CCR2CYP2C9NAMPTTNNI3K | |
| SCHEMBL1188630 | 0.87 | CYP3A4 (0.84) | CYP3A4CCR2CYP2C9TNNI3KRAF1 | |
| SCHEMBL1762510 | 0.85 | CYP3A4 (0.64) | CYP3A4CCR2CYP2C9TNNI3KMAP3K7 | |
| SCHEMBL12058592 | 0.85 | CYP3A4 (0.68) | CYP3A4CCR2CYP2C9NAMPTTNNI3K | |
| SCHEMBL12594251 | 0.84 | CYP3A4 (0.63) | CYP3A4CCR2CYP2C9NUDT1TNNI3K | |
| SCHEMBL306637 | 0.83 | CYP2C9 (0.77) | CYP3A4CCR2CYP2C9TSHR |
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-2020191240-A1 | COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1 AND/OR PD-L1 INHIBITOR | CHEMOCENTRYX, INC. (US) | 2020-09-24 | — | — | WO | disclosed |