Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9702570 | 0.59 | MAPT (0.42) | LMNAALDH1A1KDM4EMAPK1HTT | |
| SCHEMBL11057207 | 0.59 | DRD2 (0.69) | LMNAALDH1A1KDM4EMAPK1HSD17B10 | |
| SCHEMBL11157667 | 0.57 | ALDH1A1 (0.55) | CA1CA2CA9CA12LMNA | |
| SCHEMBL14412911 | 0.57 | MAPK1 (0.46) | CA1CA2CA9CA12LMNA | |
| SCHEMBL7902351 | 0.56 | OPRM1 (0.34) | KDM4E | |
| SCHEMBL3367454 | 0.55 | CA2 (0.59) | CA1CA2CA9CA12LMNA | |
| SCHEMBL11373073 | 0.55 | CHRNB4 (0.56) | CA1CA2CA9CA12LMNA | |
| SCHEMBL14421411 | 0.55 | CHRNB4 (0.56) | CA1CA2CA9CA12LMNA | |
| SCHEMBL7902097 | 0.55 | SIGMAR1 (0.34) | — | |
| SCHEMBL29910924 | 0.54 | CA2 (0.58) | CA1CA2CA9CA12MAPK1 |
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 |