Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5868972 | 0.86 | MAPK14 (0.44) | MAPK14NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7459390 | 0.81 | GSK3B (0.46) | RAB9AGSK3BGRM5VNN1 | |
| SCHEMBL7065166 | 0.80 | VCP (0.45) | RAB9AGSK3BGRM5KAT6A | |
| SCHEMBL7467152 | 0.80 | ERCC5 (0.50) | MAPK14NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7465211 | 0.79 | GSK3B (0.40) | RAB9AALDH1A1GSK3BGRM5KDM4E | |
| SCHEMBL7463263 | 0.78 | GPR139 (0.45) | RAB9AALDH1A1GSK3BGRM5VNN1 | |
| SCHEMBL7700583 | 0.77 | GSK3B (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1GSK3B | |
| SCHEMBL5868787 | 0.75 | HDAC1 (0.42) | ALDH1A1GSK3BCTSBCTSS | |
| SCHEMBL5869023 | 0.75 | HDAC1 (0.42) | ALDH1A1GSK3BCTSBCTSS | |
| SCHEMBL5558039 | 0.73 | NPC1 (0.39) | MAPK14NPC1RAB9ASMN1; SMN2ALDH1A1 |
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 |