Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4397000 | 0.87 | HDAC1 (0.49) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL2055287 | 0.86 | HDAC1 (0.54) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL16234575 | 0.84 | MEN1 (0.54) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL6259587 | 0.84 | F10 (0.52) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL15047091 | 0.83 | HDAC1 (0.51) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL4399591 | 0.81 | HDAC6 (0.77) | HDAC1HDAC6HDAC8HDAC3ACLY | |
| SCHEMBL10600114 | 0.81 | PRKCI (0.54) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL2486361 | 0.80 | HDAC1 (0.49) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL2486357 | 0.80 | HDAC1 (0.49) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL16096177 | 0.79 | BTK (0.46) | HDAC1HDAC6HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |