Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.62 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
| ▸ | KRAS | P01116 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22356617 | 0.85 | GAA (0.77) | PKMGAASMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL29823043 | 0.85 | GAA (0.77) | PKMGAASMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL31298007 | 0.85 | PKM (0.96) | PKMGAASMN1; SMN2POLBDDAH1 | |
| SCHEMBL336412 | 0.85 | PKM (0.96) | PKMGAASMN1; SMN2POLBDDAH1 | |
| Hydrochloric Acid SCHEMBL30689215 | 0.83 | PKM (1.00) | PKMGAASMN1; SMN2POLBDDAH1 | |
| Hydrochloric Acid SCHEMBL5205174 | 0.83 | PKM (1.00) | PKMGAASMN1; SMN2POLBDDAH1 | |
| Hydrochloric Acid SCHEMBL5973175 | 0.83 | PKM (1.00) | PKMGAASMN1; SMN2POLBDDAH1 | |
| Hydrochloric Acid SCHEMBL27041735 | 0.83 | PKM (1.00) | PKMGAASMN1; SMN2POLBDDAH1 | |
| Bendazol SCHEMBL29539948 | 0.83 | GAA (1.00) | PKMGAASMN1; SMN2GRIN1GRIN2B | |
| Bendazol SCHEMBL309393 | 0.83 | GAA (1.00) | PKMGAASMN1; SMN2GRIN1GRIN2B |
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-0268148-B1 | TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4808605-A | Tetrahydronaphthalene derivatives as calcium antagonists | HOFFMANN-LA ROCHE INC. (US) | 1989-02-28 | — | — | US | disclosed |
| EP-0268148-A1 | Tetrahydronaphthalene derivatives and medicaments containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-05-25 | — | — | EP | disclosed |