Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 9/20 | 0.47 |
| ▸ | SULT1A1 | P50225 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2676185 | 0.93 | HTT (0.61) | HTTGAAL3MBTL1DYRK1ACA12 | |
| SCHEMBL8359677 | 0.82 | HTT (0.47) | HTTGAAL3MBTL1DYRK1ACA12 | |
| Chlorobenzene SCHEMBL8361496 | 0.81 | HTT (0.49) | HTTGAAL3MBTL1DYRK1ACA12 | |
| Fluorobenzene SCHEMBL8361483 | 0.81 | APP (0.56) | HTTGAAL3MBTL1DYRK1ACA12 | |
| Ethylbenzene SCHEMBL8358098 | 0.81 | MAOB (0.50) | HTTGAAL3MBTL1DYRK1AAPP | |
| SCHEMBL3046846 | 0.78 | CA2 (0.53) | HTTGAAL3MBTL1DYRK1ACA12 | |
| Benzonitrile SCHEMBL8361486 | 0.77 | MAOB (0.46) | HTTGAAL3MBTL1DYRK1ACA12 | |
| SCHEMBL9305939 | 0.77 | RAB9A (0.65) | HTTGAAL3MBTL1APPMAPT | |
| SCHEMBL10219916 | 0.77 | HTT (0.56) | HTTGAAL3MBTL1DYRK1ACA12 | |
| Nitrobenzene SCHEMBL8357903 | 0.75 | MAOB (0.51) | HTTGAAL3MBTL1DYRK1ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5919807-A | ANTICHOLESTEROL AGENTS | DR. KARL THOMAE GMBH (DE) | 1999-07-06 | — | — | US | disclosed |
| EP-0824529-A1 | BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035681-A1 | BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-11-14 | — | — | WO | disclosed |