Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10968103 | 0.87 | CA12 (0.41) | HDAC6MAOBCA12CA2CA3 | |
| SCHEMBL10968431 | 0.84 | HDAC6 (0.54) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16901843 | 0.81 | HDAC6 (0.51) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL17689078 | 0.79 | HDAC6 (0.49) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10964588 | 0.78 | HDAC6 (0.37) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16901833 | 0.76 | HDAC6 (0.47) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10965481 | 0.76 | PRMT6 (0.56) | HDAC6BCHEACHE | |
| SCHEMBL16901845 | 0.75 | HDAC6 (0.46) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL23677067 | 0.74 | HDAC6 (0.54) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10964554 | 0.74 | PRMT6 (0.47) | HDAC6BCHEACHE |
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-0029311-B1 | AMINOALKYL BENZOFURAN DERIVATIVES, THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1985-01-23 | — | — | EP | disclosed |
| EP-0029311-A1 | Aminoalkyl benzofuran derivatives, their production and compositions containing them | MERCK & CO. INC. (US) | 1981-05-27 | — | — | EP | disclosed |
| US-4238487-A | ANTISECRETORY AGENTS | MERCK & CO., INC. (US) | 1980-12-09 | — | — | US | disclosed |