Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21584391 | 0.90 | JAK2 (0.32) | NPSR1ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL1654721 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19NPSR1GAA | |
| SCHEMBL21584404 | 0.79 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C19NPSR1GAA | |
| SCHEMBL1653873 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19NPSR1GAA | |
| SCHEMBL21584408 | 0.78 | LMNA (0.43) | CYP1A2CYP3A4CYP2C19NPSR1GAA | |
| SCHEMBL21584389 | 0.78 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C19NPSR1GAA | |
| SCHEMBL21584428 | 0.78 | POLB (0.38) | CYP1A2CYP3A4CYP2C19NPSR1GAA | |
| SCHEMBL21584477 | 0.78 | ALDH1A1 (0.41) | GAAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL21584392 | 0.77 | ABL1 (0.35) | NPSR1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL21584371 | 0.77 | PDE10A (0.35) | CYP1A2CYP3A4CYP2C19NPSR1GAA |
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-2019227771-A1 | SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 (CN) | 2019-12-05 | — | — | WO | disclosed |