Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303023 | 0.87 | CNR2 (0.49) | CNR2KMT2ACNR1ALDH1A1MAPT | |
| SCHEMBL8306437 | 0.83 | DPP4 (0.38) | CNR2MEN1KMT2ACYP3A4GAA | |
| SCHEMBL8307199 | 0.80 | TSHR (0.43) | KMT2APOLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8302401 | 0.77 | GPR88 (0.40) | KMT2ACYP1A2POLBCYP3A4GAA | |
| SCHEMBL4566800 | 0.77 | CNR2 (0.67) | CNR2MEN1KMT2APOLBCNR1 | |
| SCHEMBL8305615 | 0.77 | CNR2 (0.46) | CNR2MEN1KMT2AGAATSHR | |
| SCHEMBL9003082 | 0.74 | ALDH1A1 (0.46) | CNR2MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL9003077 | 0.74 | ALDH1A1 (0.46) | CNR2MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL8303022 | 0.73 | ALDH1A1 (0.46) | MEN1KMT2APOLBCYP3A4GAA | |
| SCHEMBL18653054 | 0.73 | CYP2D6 (0.51) | KMT2ACYP3A4CYP2D6CYP2C9TSHR |
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 |