Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | HTR5A | P47898 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4422464 | 0.72 | ALDH1A1 (0.37) | ALDH1A1IDO1HTR5AGSK3BMEN1 | |
| SCHEMBL7477762 | 0.68 | GSK3B (0.41) | ALDH1A1GSK3BMEN1KMT2A | |
| SCHEMBL7829572 | 0.68 | GAA (0.39) | GSK3BMEN1KMT2A | |
| SCHEMBL16566110 | 0.67 | IDO1 (0.46) | ALDH1A1IDO1GSK3BCREBBPTDO2 | |
| SCHEMBL7835439 | 0.67 | ALDH1A1 (0.41) | ALDH1A1NOS2MEN1KMT2A | |
| SCHEMBL19590839 | 0.65 | ALDH1A1 (0.42) | ALDH1A1IDO1GSK3BTDO2 | |
| SCHEMBL16566268 | 0.61 | IDO1 (0.44) | ALDH1A1IDO1HTR5AGSK3BNOS2 | |
| SCHEMBL22907690 | 0.61 | IDO1 (0.47) | ALDH1A1IDO1GSK3BCREBBPTDO2 | |
| SCHEMBL19985146 | 0.61 | IDO1 (0.47) | ALDH1A1IDO1GSK3BCREBBPTDO2 | |
| SCHEMBL7375443 | 0.60 | MAPT (0.49) | ALDH1A1IDO1GSK3BNOS2CREBBP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831833-A4 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | MERCK & CO INC (US) | 1998-10-07 | — | — | EP | disclosed |
| EP-0831833-A1 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040146-A1 | NOVEL 5-CYCLOPROPYL-1,4 BENZODIAZEPINE-2-ONES | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |