Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ADH5 | P11766 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141809 | 0.91 | ABL1 (0.40) | ABL1ADH5KMT2AMEN1PDE4A | |
| SCHEMBL7147242 | 0.81 | ABL1 (0.41) | ABL1ADH5KMT2AMEN1PDE4A | |
| SCHEMBL7143167 | 0.79 | ABL1 (0.41) | ABL1KMT2AMEN1PDE4APDE4B | |
| SCHEMBL5868869 | 0.79 | ADH5 (0.41) | ABL1ADH5PDE4APDE4BPDE4C | |
| SCHEMBL7705397 | 0.79 | KMT2A (0.40) | KMT2AMEN1MAPT | |
| SCHEMBL7146597 | 0.78 | ADH5 (0.41) | ABL1ADH5PDE4APDE4BPDE4C | |
| SCHEMBL7139934 | 0.75 | ABL1 (0.41) | ABL1ADH5PDE4APDE4BPDE4C | |
| SCHEMBL7705335 | 0.75 | ALDH1A1 (0.44) | KMT2AMEN1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL7145881 | 0.74 | ABL1 (0.39) | ABL1ADH5PDE4APDE4BPDE4C | |
| SCHEMBL7139875 | 0.73 | ABL1 (0.41) | ABL1PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |