Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3904926 | 0.79 | TDP1 (0.55) | ESRRGHDAC3HDAC1CA1CA2 | |
| SCHEMBL22939550 | 0.79 | TDP1 (0.55) | ESRRGHDAC3HDAC1CA1CA2 | |
| SCHEMBL19983233 | 0.78 | HDAC1 (0.40) | HDAC3HDAC1CYP3A4HDAC6 | |
| SCHEMBL19982963 | 0.78 | CYP3A4 (0.49) | CA1CA2CYP3A4CA12CA9 | |
| SCHEMBL29780267 | 0.78 | ESRRG (0.53) | ESRRGHDAC3HDAC1CA1CA2 | |
| SCHEMBL3758446 | 0.76 | ESRRG (0.53) | ESRRGHDAC3HDAC1CA1CA2 | |
| SCHEMBL750337 | 0.73 | ESRRG (0.56) | ESRRGHDAC3HDAC1CA1CA2 | |
| SCHEMBL25721164 | 0.73 | HDAC1 (0.48) | HDAC3HDAC1NCOR2CA1CA2 | |
| SCHEMBL30448505 | 0.73 | HDAC1 (0.48) | HDAC3HDAC1NCOR2CA1CA2 | |
| SCHEMBL24412780 | 0.72 | HDAC6 (0.57) | CA1CA2HDAC6CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053353-A1 | KETONE INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |