Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1515043 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTGLAACHE | |
| Hydrochloric Acid SCHEMBL7448684 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HPGDMAPTGLAACHE | |
| Hydrochloric Acid SCHEMBL8523156 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HPGDMAPTGLAACHE | |
| Bromide SCHEMBL6944639 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HPGDMAPTGLAACHE | |
| Acridine SCHEMBL29352289 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDMAPTGLAACHE | |
| Acridine SCHEMBL8339 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDMAPTGLAACHE | |
| Acridine SCHEMBL3045498 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDMAPTGLAACHE | |
| Acridine SCHEMBL1772714 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDMAPTGLAACHE | |
| Acridine SCHEMBL4972293 | 0.69 | ALDH1A1 (1.00) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL9016889 | 0.68 | ALDH1A1 (0.58) | ALDH1A1HPGDMAPTGLAACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3535253-A1 | 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES | H. Hoffnabb-La Roche Ag (CH) | 2019-09-11 | — | — | EP | disclosed |
| EP-1001956-B1 | 2,3-BENZODIAZEPINE DERIVATIVES | GYOGYSZERKUTATO INTEZET (HU) | 2003-05-07 | — | — | EP | disclosed |
| US-6482819-B1 | 2,3-benzodiazepine derivatives | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2002-11-19 | — | — | US | disclosed |
| EP-1001956-A1 | NEW 2,3-BENZODIAZEPINE DERIVATIVES | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006408-A1 | NEW 2,3-BENZODIAZEPINE DERIVATIVES | Gyógyszerkutató Intézet Kft. (HU) | 1999-02-11 | — | — | WO | disclosed |