Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | TPH1 | P17752 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147119 | 0.90 | ABL1 (0.38) | PIK3CANPC1MAPTHPGDKDM4E | |
| SCHEMBL7702830 | 0.82 | NPC1 (0.45) | NPC1ALDH1A1MEN1CYP1A2CYP3A4 | |
| SCHEMBL7704508 | 0.78 | GPR6 (0.38) | ALDH1A1GRM5 | |
| SCHEMBL7142627 | 0.76 | GRM5 (0.38) | NPC1MAPTALDH1A1RAB9AGRM5 | |
| SCHEMBL7141765 | 0.75 | MAPK1 (0.39) | NPC1ALDH1A1RAB9AGRM5MEN1 | |
| SCHEMBL7139847 | 0.74 | PRKDC (0.41) | NPC1ALDH1A1MEN1CYP1A2CYP3A4 | |
| SCHEMBL7141070 | 0.71 | PTPN11 (0.37) | NPC1MAPTHPGDKDM4EALDH1A1 | |
| SCHEMBL7141511 | 0.71 | DDB1 (0.35) | MAPTALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL7141549 | 0.70 | RORC (0.37) | GRM5 | |
| SCHEMBL7699272 | 0.69 | GAA (0.39) | NPC1MAPTHPGDKDM4EALDH1A1 |
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 |