Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22636823 | 0.85 | MAPT (0.55) | ALDH1A1HCAR3APPMAPTNPSR1 | |
| SCHEMBL5562552 | 0.80 | KMT2A (0.43) | ALDH1A1MAPTNPSR1NPC1RAB9A | |
| SCHEMBL483782 | 0.80 | HCAR3 (0.54) | ALDH1A1HCAR3MAPTNPC1RAB9A | |
| SCHEMBL2465627 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HCAR3MAPTNPSR1NPC1 | |
| SCHEMBL2465632 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HCAR3MAPTNPSR1NPC1 | |
| SCHEMBL18493542 | 0.79 | HPGD (0.39) | NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL1704376 | 0.78 | ALDH1A1 (0.71) | ALDH1A1MAPTNPC1RAB9AMAPK1 | |
| SCHEMBL7462935 | 0.77 | ABCB1 (0.52) | ALDH1A1HCAR3MAPTRAB9AKMT2A | |
| SCHEMBL16235764 | 0.76 | APP (0.69) | ALDH1A1APPMAPTNPSR1NPC1 | |
| SCHEMBL6611147 | 0.76 | HCAR3 (0.52) | ALDH1A1HCAR3APPMAPTNPSR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100497333-C | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2009-06-10 | — | — | CN | disclosed |
| CN-1633430-A | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2005-06-29 | — | — | CN | disclosed |
| EP-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |
| 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 |