Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7923429 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL367454 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL265774 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL28277366 | 0.80 | CYP2C9 (0.45) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL4740994 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL21081470 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL4740992 | 0.80 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL7741684 | 0.77 | CYP3A4 (0.49) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL5283363 | 0.77 | CYP3A4 (0.49) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL31633609 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP2C9CES1CES2AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102249833-B | Method for preparing chiral gamma-amino acid and derivatives thereof | CHINESE ACAD INST CHEMISTRY | 2013-12-11 | — | — | CN | disclosed |
| CN-102249833-A | Method for preparing chiral gamma-amino acid and derivatives thereof | CHINESE ACAD INST CHEMISTRY | 2011-11-23 | — | — | CN | disclosed |