Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GLP1R | P43220 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11330096 | 0.89 | L3MBTL1 (0.49) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11215144 | 0.86 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11332246 | 0.86 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11434187 | 0.85 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11330579 | 0.83 | MAPT (0.45) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11528773 | 0.82 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11325123 | 0.81 | MAPT (0.49) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11524157 | 0.79 | MAPT (0.60) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11441014 | 0.79 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11447983 | 0.78 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2C9 |
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-4136117-A | PREPARATION OF 2,6-DINITROANILINES | AMERICAN CYANAMID COMPANY (US) | 1979-01-23 | — | — | US | disclosed |