Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7877115 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9237442 | 0.84 | ALDH1A1 (0.61) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9477684 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9475263 | 0.81 | NPSR1 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9236482 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9683096 | 0.76 | ALDH1A1 (0.60) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL11616668 | 0.74 | LMNA (0.62) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL31657764 | 0.74 | LMNA (0.62) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9597927 | 0.71 | L3MBTL1 (0.49) | CYP1A2CYP2C9CYP2C19ALDH1A1NPSR1 | |
| SCHEMBL7835212 | 0.70 | ALDH1A1 (0.53) | CYP1A2CYP2C9CYP2C19ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0643048-A2 | Cyano-containing pyrimidine derivatives and their use as herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1995-03-15 | — | — | EP | disclosed |