Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL27609155 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4ETLR7ACHEHPGDS | |
| SCHEMBL7460091 | 0.81 | HPGDS (0.38) | ALDH1A1KDM4ETLR7HPGDHDAC1 | |
| SCHEMBL3062139 | 0.80 | HTR2B (0.48) | ALDH1A1KDM4ETLR7HPGDCYP2C9 | |
| SCHEMBL3065517 | 0.76 | MAPT (0.54) | ALDH1A1CYP1A2CYP2C19TDP1ACHE | |
| SCHEMBL5201609 | 0.76 | HPGDS (0.42) | ALDH1A1KDM4ETLR7HPGDCYP1A2 | |
| SCHEMBL31216572 | 0.72 | HTR3E (0.37) | TLR7HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31216569 | 0.70 | TYR (0.39) | KDM4ETLR7HPGDHDAC1HDAC8 | |
| SCHEMBL27905839 | 0.69 | SCN9A (0.48) | ALDH1A1KDM4EHPGDCYP3A4TDP1 | |
| SCHEMBL31216451 | 0.68 | PIM1 (0.36) | TLR7HPGDHDAC1HDAC8HDAC6 | |
| SCHEMBL25426474 | 0.67 | TLR7 (0.39) | ALDH1A1KDM4ETLR7HDAC1HDAC8 |
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-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |