Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 12/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 12/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9967771 | 0.78 | CYP1A1 (0.59) | CYP1A1CYP1B1CYP1A2FBP1ALDH1A1 | |
| SCHEMBL20460722 | 0.75 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2FBP1ALDH1A1 | |
| SCHEMBL9967772 | 0.74 | ALDH1A1 (0.44) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL105258 | 0.71 | NFE2L2 (0.54) | FBP1 | |
| SCHEMBL2869906 | 0.71 | NFE2L2 (0.54) | FBP1 | |
| SCHEMBL24299463 | 0.71 | CYP3A4 (0.37) | CYP1A1CYP1B1CYP1A2ALDH1A1MAPT | |
| SCHEMBL18885132 | 0.70 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4E | |
| SCHEMBL15617284 | 0.70 | LMNA (0.44) | ALDH1A1MAPTSLC6A4MAOA | |
| SCHEMBL11800299 | 0.69 | CYP3A4 (0.53) | FBP1MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11800306 | 0.69 | CYP3A4 (0.53) | FBP1MAPTCYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9006265-B2 | Substituted fused pyrimidinones and dihydropyrimidinones | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-14 | — | — | US | disclosed |