Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 18/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 16/20 | 0.77 |
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.68 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2055287 | 0.84 | HDAC1 (0.54) | HDAC6HDAC1HDAC8MEN1KMT2A | |
| SCHEMBL4394549 | 0.84 | HDAC1 (0.55) | HDAC6HDAC1HDAC8MEN1KMT2A | |
| SCHEMBL16234575 | 0.83 | MEN1 (0.54) | HDAC6HDAC1HDAC8ACLYMEN1 | |
| SCHEMBL4398972 | 0.81 | HDAC1 (0.51) | HDAC6HDAC1HDAC8ACLYKMT2A | |
| SCHEMBL15047091 | 0.81 | HDAC1 (0.51) | HDAC6HDAC1HDAC8MEN1KMT2A | |
| SCHEMBL4397000 | 0.79 | HDAC1 (0.49) | HDAC6HDAC1HDAC8HDAC3 | |
| SCHEMBL2486357 | 0.79 | HDAC1 (0.49) | HDAC6HDAC1HDAC8MEN1KMT2A | |
| SCHEMBL2486361 | 0.79 | HDAC1 (0.49) | HDAC6HDAC1HDAC8MEN1KMT2A | |
| SCHEMBL4796769 | 0.77 | ALDH1A1 (0.54) | HDAC6HDAC1MEN1KMT2A | |
| SCHEMBL30748254 | 0.77 | SMN1; SMN2 (0.55) | HDAC6HDAC1MEN1KMT2AHDAC3 |
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 |