Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30135970 | 1.00 | GAA (0.67) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL31090146 | 0.88 | GAA (0.77) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL13181092 | 0.83 | GAA (0.69) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL1877259 | 0.83 | KDM4E (0.72) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL1332082 | 0.82 | ATM (0.66) | CYP19A1ALDH1A1CYP3A4ATMKDM4E | |
| SCHEMBL8867396 | 0.81 | GAA (0.67) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL687841 | 0.81 | GAA (0.67) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL6865547 | 0.80 | GAA (1.00) | GAACYP19A1ALDH1A1CYP3A4ATM | |
| SCHEMBL27205449 | 0.80 | GAA (0.65) | GAACYP19A1ATMKDM4E | |
| SCHEMBL4967750 | 0.79 | CYP19A1 (0.70) | GAACYP19A1ATMKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107406426-A | Cyclic ureas as ROCK inhibitors | 百时美施贵宝公司 | 2017-11-28 | — | — | CN | disclosed |