Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141959 | 0.94 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MAPTTP53NR3C2 | |
| SCHEMBL7704777 | 0.93 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2MAPTTP53NR3C2 | |
| SCHEMBL7143546 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MAPTTP53LMNA | |
| SCHEMBL7141292 | 0.90 | MAPT (0.36) | ALDH1A1SMN1; SMN2MAPTTP53NR3C2 | |
| SCHEMBL5868865 | 0.88 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2MAPTTP53NR3C2 | |
| SCHEMBL7139910 | 0.87 | CYP3A4 (0.34) | ALDH1A1SMN1; SMN2BRD4CYP3A4TSHR | |
| SCHEMBL7139875 | 0.86 | ABL1 (0.41) | BRD4F10CYP3A4L3MBTL1 | |
| SCHEMBL7705335 | 0.85 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTTP53LMNA | |
| SCHEMBL7699016 | 0.85 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTTP53LMNA | |
| SCHEMBL7703856 | 0.83 | CYP3A4 (0.37) | ALDH1A1SMN1; SMN2MAPTTP53NR3C2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1224174-B1 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | EP | disclosed |
| EP-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| US-6407094-B1 | 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |