Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 5/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12775638 | 0.74 | ADA (0.39) | ADACYP1A2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL28171952 | 0.74 | ADA (0.42) | ADACYP1A2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL13057368 | 0.71 | CYP1A2 (0.40) | ADACYP1A2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL5633 | 0.70 | FDPS (0.42) | CYP1A2CYP3A4ALDH1A1CYP2C9CYP2D6 | |
| SCHEMBL12775637 | 0.69 | ADA (0.36) | ADACYP1A2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL10644213 | 0.69 | ADA (0.36) | ADACYP1A2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL21137627 | 0.69 | SLC9A1 (0.43) | ADACYP1A2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL28075428 | 0.68 | FDPS (0.41) | CYP1A2CYP3A4ALDH1A1CYP2C9CYP2D6 | |
| SCHEMBL17772347 | 0.68 | ALDH1A1 (0.36) | CYP1A2CYP3A4ALDH1A1CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL357698 | 0.68 | FDPS (0.41) | CYP1A2CYP3A4ALDH1A1CYP2C9CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0935601-A4 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | DU PONT PHARM CO (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-0935601-A2 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | Du Pont Pharmaceuticals Company (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1997035539-A2 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-10-02 | — | — | WO | disclosed |