Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 6/20 | 0.53 |
| ▸ | CA1 | P00915 | 6/20 | 0.53 |
| ▸ | CA2 | P00918 | 6/20 | 0.53 |
| ▸ | CA7 | P43166 | 6/20 | 0.53 |
| ▸ | CA9 | Q16790 | 6/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.53 |
| ▸ | CA6 | P23280 | 3/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.53 |
| ▸ | TYR | P14679 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | DPP4 | P27487 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4283078 | 1.00 | THRB (0.56) | THRBATMCA12CA1CA2 | |
| SCHEMBL4055672 | 0.93 | CA12 (0.53) | THRBATMCA12CA1CA2 | |
| SCHEMBL13845314 | 0.93 | CA12 (0.53) | THRBATMCA12CA1CA2 | |
| SCHEMBL4055668 | 0.93 | CA12 (0.53) | THRBATMCA12CA1CA2 | |
| SCHEMBL10577662 | 0.88 | THRB (0.54) | THRBATMCA12CA1CA2 | |
| SCHEMBL1006098 | 0.87 | GLA (0.55) | AKR1B10AKR1B1HCAR2HDAC3HDAC4 | |
| SCHEMBL4065769 | 0.87 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL126771 | 0.87 | GLA (0.55) | AKR1B10AKR1B1HCAR2HDAC3HDAC4 | |
| SCHEMBL4065768 | 0.87 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4579922 | 0.86 | MAPT (0.54) | CA12CA1CA2CA7CA9 |
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-2310364-B1 | HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS | DAC SRL (IT) | 2013-01-02 | — | — | EP | disclosed |
| WO-2009150129-A1 | HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS | DAC S.R.L. (IT) | 2009-12-17 | — | — | WO | disclosed |
| EP-2133334-A1 | Heterocyclic derivatives as HDAC inhibitors | DAC S.r.l. (IT) | 2009-12-16 | — | — | EP | disclosed |