Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11360946 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL16549277 | 0.79 | AMY1A (0.42) | ALDH1A1GAAMAPK1HTTGFER | |
| SCHEMBL9132775 | 0.79 | SLC6A2 (0.42) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL4326211 | 0.78 | HSP90AA1 (0.44) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL11361203 | 0.78 | HSD17B10 (0.36) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL20329381 | 0.76 | ALDH1A1 (0.37) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL9132682 | 0.76 | SLC6A2 (0.47) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL9134917 | 0.76 | SLC6A2 (0.49) | ALDH1A1CYP3A4GAAMAPK1HTT | |
| SCHEMBL17914525 | 0.76 | TEK (0.37) | ALDH1A1GAAMAPK1HTTGFER | |
| SCHEMBL20329237 | 0.76 | MAPT (0.44) | ALDH1A1CYP3A4GAAMAPK1GFER |
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 |
|---|---|---|---|---|---|---|---|
| CN-1073089-C | Benzodiazepine derivatives, compositions thereof and their use in the manufacture of medicaments | SHIONOGI & CO (JP) | 2001-10-17 | — | — | CN | disclosed |
| CN-1143362-A | Novel benzodizaepine derivative | SHIONOGI & CO (JP) | 1997-02-19 | — | — | CN | disclosed |