Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.49 |
| ▸ | RAB9A | P51151 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7138027 | 0.87 | SMN1; SMN2 (0.44) | NPC1RAB9ASMN1; SMN2MAPK1CYP19A1 | |
| SCHEMBL7700537 | 0.82 | MAPT (0.46) | NPC1RAB9ASMN1; SMN2MAPK1MAPT | |
| SCHEMBL7137992 | 0.79 | CYP19A1 (0.47) | NPC1RAB9ASMN1; SMN2CYP19A1MAPT | |
| SCHEMBL7704609 | 0.76 | KDM4E (0.43) | NPC1RAB9ASMN1; SMN2MAPK1MAPT | |
| SCHEMBL15670979 | 0.75 | CTSV (0.50) | NPC1RAB9ASMN1; SMN2CYP19A1MAPT | |
| SCHEMBL15670977 | 0.75 | CTSV (0.50) | NPC1RAB9ASMN1; SMN2CYP19A1MAPT | |
| SCHEMBL978809 | 0.74 | RAB9A (0.73) | NPC1RAB9ASMN1; SMN2MAPK1MAPT | |
| SCHEMBL3496332 | 0.74 | SMN1; SMN2 (0.66) | NPC1RAB9ASMN1; SMN2MAPK1MAPT | |
| SCHEMBL978808 | 0.74 | RAB9A (0.73) | NPC1RAB9ASMN1; SMN2MAPK1MAPT | |
| SCHEMBL3496338 | 0.74 | SMN1; SMN2 (0.66) | NPC1RAB9ASMN1; SMN2MAPK1MAPT |
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 |