Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141800 | 0.97 | NPC1 (0.41) | ALDH1A1KDM4ECYP1A2CYP2C9NPC1 | |
| SCHEMBL7147448 | 0.89 | NPC1 (0.39) | ALDH1A1KDM4ECYP1A2CYP2C9NPC1 | |
| SCHEMBL7141612 | 0.84 | PKM (0.43) | ALDH1A1MAPTSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7144299 | 0.83 | TDP1 (0.40) | ALDH1A1CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL7698485 | 0.83 | MEN1 (0.40) | ALDH1A1CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL5563828 | 0.82 | HTT (0.40) | ALDH1A1KDM4ECYP1A2MAPTLMNA | |
| SCHEMBL6166451 | 0.82 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL7145419 | 0.81 | MMP1 (0.39) | ALDH1A1CYP1A2NPC1RAB9AMAPT | |
| SCHEMBL7147417 | 0.81 | NPC1 (0.36) | ALDH1A1CYP1A2CYP2C9NPC1RAB9A | |
| SCHEMBL7141508 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KDM4ECYP1A2CYP2C9NPC1 |
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 |