Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14413 | 0.92 | — | — | |
| SCHEMBL29350499 | 0.92 | — | — | |
| SCHEMBL2913077 | 0.89 | ALDH1A1 (0.48) | CES2CES1ALDH1A1ATMTDP1 | |
| Methane SCHEMBL8873095 | 0.89 | ALDH1A1 (0.48) | CES2CES1ALDH1A1ATMTDP1 | |
| SCHEMBL1349378 | 0.83 | EPAS1 (0.41) | CES2CES1ALDH1A1ATMTDP1 | |
| Formic Acid SCHEMBL27678088 | 0.83 | CES2 (0.45) | CES2CES1ALDH1A1ATMTDP1 | |
| SCHEMBL28058902 | 0.80 | NFE2L2 (0.47) | CES2CES1ALDH1A1ATMTDP1 | |
| SCHEMBL257619 | 0.75 | KIF11 (0.49) | ALDH1A1KDM1AKCNH2KDM1BKIF11 | |
| SCHEMBL30411804 | 0.75 | — | — | |
| SCHEMBL2840953 | 0.75 | — | — |
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-102471296-A | Bace inhibitors | LILLY CO ELI | 2012-05-23 | — | — | CN | disclosed |