Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8302507 | 0.83 | CNR2 (0.44) | GPR88KMT2AMEN1CYP3A4CYP2D6 | |
| SCHEMBL14688086 | 0.78 | CYP3A4 (0.47) | KMT2AMEN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14688085 | 0.78 | CYP3A4 (0.47) | KMT2AMEN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18683717 | 0.76 | CYP3A4 (0.41) | KMT2AMEN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14701601 | 0.76 | CYP3A4 (0.41) | KMT2AMEN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31011124 | 0.76 | ALDH1A1 (0.41) | KMT2AMEN1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29172249 | 0.76 | KMT2A (0.42) | DPP4KMT2AMEN1CYP3A4CYP2D6 | |
| SCHEMBL8307199 | 0.73 | TSHR (0.43) | GPR88KMT2ACYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13780954 | 0.73 | DPP4 (0.36) | DPP4RORC | |
| SCHEMBL2861837 | 0.73 | DPP4 (0.41) | DPP4CYP2D6RORC |
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 |