Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30831666 | 1.00 | HDAC6 (0.35) | HDAC6HDAC1HDAC2CA14CHRNB2 | |
| SCHEMBL31755718 | 1.00 | HDAC6 (0.35) | HDAC6HDAC1HDAC2CA14CHRNB2 | |
| SCHEMBL9354885 | 0.88 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA14CHRNB2 | |
| SCHEMBL1447140 | 0.87 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL1069362 | 0.86 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL17521496 | 0.83 | TET2 (0.33) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL24438810 | 0.83 | ALDH1A1 (0.35) | HDAC6HDAC1HDAC2CA14CHRNB2 | |
| SCHEMBL13041259 | 0.82 | CA14 (0.33) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL18175892 | 0.82 | CA14 (0.33) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL591539 | 0.81 | HDAC6 (0.33) | HDAC6HDAC1HDAC2 |
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-3068784-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-02-20 | — | — | EP | disclosed |