Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8302401 | 0.92 | GPR88 (0.40) | ALDH1A1CYP3A4GAAATMMAPT | |
| SCHEMBL8302370 | 0.86 | CYP3A4 (0.48) | ALDH1A1CYP3A4GAAMAPTPOLB | |
| SCHEMBL8307199 | 0.79 | TSHR (0.43) | ALDH1A1CYP3A4ATMMAPTKDM4E | |
| SCHEMBL8306394 | 0.78 | TACR3 (0.40) | ALDH1A1CYP3A4EPHX1CES2CES1 | |
| SCHEMBL8302507 | 0.73 | CNR2 (0.44) | ALDH1A1CYP3A4GAAATMEPHX1 | |
| SCHEMBL18653054 | 0.72 | CYP2D6 (0.51) | ALDH1A1CYP3A4ATMEPHX1MAPT | |
| SCHEMBL6661082 | 0.72 | RAB9A (0.66) | ALDH1A1CYP3A4GAACES2CES1 | |
| SCHEMBL6661088 | 0.72 | RAB9A (0.66) | ALDH1A1CYP3A4GAACES2CES1 | |
| SCHEMBL7933746 | 0.72 | RAB9A (0.66) | ALDH1A1CYP3A4GAACES2CES1 | |
| SCHEMBL12682989 | 0.72 | CYP2D6 (0.51) | ALDH1A1CYP3A4ATMEPHX1MAPT |
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 |