Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13993102 | 0.66 | ALDH1A1 (0.38) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL9700249 | 0.64 | NOS3 (0.33) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL17293067 | 0.64 | AHR (0.44) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL7904410 | 0.64 | MAPT (0.35) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL27453650 | 0.63 | PNMT (0.41) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL11574982 | 0.59 | L3MBTL1 (0.50) | MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL30364214 | 0.58 | HRH4 (0.35) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL28113970 | 0.57 | ALDH1A1 (0.35) | AKR1B1HRH4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL3612247 | 0.57 | TDP1 (0.54) | MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL9452603 | 0.57 | TSHR (0.59) | MAPK1ALDH1A1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992013860-A1 | NEW 4,5,6,7-TETRAHYDRO-IMIDAZO-[4,5,lJK][1,4]-BENZODIAZEPINE-2-(1H)-THIONES, A METHOD OF PREPARING THEM AS WELL AS DRUGS CONTAINING THEM, AND INTERMEDIATES FOR THE PREPARATION OF THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1992-08-20 | — | — | WO | disclosed |