Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | POLQ | O75417 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HCK | P08631 | 1/20 | 0.32 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL374483 | 0.78 | CDK5 (0.46) | CYP1A2CYP2D6CA2CHKACYP3A4 | |
| SCHEMBL374610 | 0.71 | NR1H2 (0.51) | CYP1A2CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30401867 | 0.71 | NR1H2 (0.51) | CYP1A2CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL16054675 | 0.70 | NR1H2 (0.50) | CYP1A2CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27907260 | 0.69 | ALDH1A1 (0.46) | CA2CHKACYP3A4ALDH1A1LMNA | |
| SCHEMBL27907258 | 0.67 | EGFR (0.44) | ALDH1A1EGFR | |
| SCHEMBL374500 | 0.67 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP3A4ALDH1A1LMNA | |
| SCHEMBL13960088 | 0.66 | SLC6A4 (0.46) | CYP1A2CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7780176 | 0.65 | NR3C2 (0.36) | CYP2D6CYP3A4 | |
| SCHEMBL24399683 | 0.65 | SLC6A4 (0.52) | CYP1A2CYP2D6SLC6A2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103121973-A | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG | 2013-05-29 | — | — | CN | disclosed |
| CN-103121972-A | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG | 2013-05-29 | — | — | CN | disclosed |