Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | KLK1 | P06870 | 3/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.46 |
| ▸ | F10 | P00742 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 4/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.42 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.42 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902823 | 0.87 | HDAC1 (0.65) | HDAC1HDAC6KLK1KLK5F10 | |
| SCHEMBL4398972 | 0.87 | HDAC1 (0.51) | HDAC1HDAC6F10CA1CA2 | |
| SCHEMBL2055287 | 0.83 | HDAC1 (0.54) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL4394549 | 0.83 | HDAC1 (0.55) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL16234575 | 0.81 | MEN1 (0.54) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL15047091 | 0.80 | HDAC1 (0.51) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL7903346 | 0.79 | KLK1 (0.56) | HDAC1HDAC6KLK1KLK5F10 | |
| SCHEMBL4399591 | 0.79 | HDAC6 (0.77) | HDAC1HDAC6HDAC8HDAC3 | |
| SCHEMBL7894917 | 0.77 | CA1 (0.55) | HDAC1HDAC6F10CA1CA2 | |
| SCHEMBL2486357 | 0.77 | HDAC1 (0.49) | HDAC1HDAC6CA1CA2CA9 |
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 |