Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | DCAF1 | Q9Y4B6 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL4561568 | 0.85 | KDM4E (0.49) | EPHX1ALDH1A1LMNA | |
| SCHEMBL8303021 | 0.84 | ALDH1A1 (0.47) | EPHX1DCAF1ALDH1A1 | |
| SCHEMBL8303027 | 0.81 | EPHX1 (0.51) | EPHX1CYP2C19ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL13707888 | 0.81 | ALDH1A1 (0.46) | EPHX1DCAF1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL8306927 | 0.79 | EPHX1 (0.50) | EPHX1DCAF1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8306001 | 0.79 | HPGD (0.49) | CYP2C19ALDH1A1SMN1; SMN2CYP1A2MAPK1 | |
| SCHEMBL16348724 | 0.77 | ALDH1A1 (0.56) | DCAF1CYP2C19ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL6168207 | 0.77 | DCAF1 (0.53) | DCAF1CYP2C19ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL17375914 | 0.77 | DCAF1 (0.53) | DCAF1CYP2C19ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL13707905 | 0.75 | ALDH1A1 (0.53) | EPHX1ALDH1A1SMN1; SMN2LMNAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |