Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303021 | 0.93 | ALDH1A1 (0.47) | EPHX1ATMDCAF1MEN1KMT2A | |
| SCHEMBL8305547 | 0.85 | CNR2 (0.45) | CNR2MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL4854181 | 0.85 | GPR88 (0.52) | GPR88CNR2L3MBTL1MEN1KMT2A | |
| SCHEMBL8306436 | 0.80 | ALDH1A1 (0.47) | EPHX1GPR88MEN1KMT2ACYP1A2 | |
| SCHEMBL4846798 | 0.79 | TDP1 (0.53) | GPR88ATMMEN1KMT2APLA2G1B | |
| SCHEMBL4852606 | 0.79 | PLA2G1B (0.55) | GPR88ATMCNR2L3MBTL1MEN1 | |
| SCHEMBL8305705 | 0.79 | EPHX1 (0.45) | EPHX1CNR2DCAF1LMNACYP1A2 | |
| SCHEMBL1429119 | 0.79 | KMT2A (0.60) | GPR88CNR2L3MBTL1MEN1KMT2A | |
| SCHEMBL3308208 | 0.79 | ALDH1A1 (0.55) | GPR88L3MBTL1MEN1KMT2ALMNA | |
| SCHEMBL4561568 | 0.77 | KDM4E (0.49) | EPHX1GPR88MEN1KMT2ALMNA |
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 |