Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL5029147 | 0.94 | CA12 (0.38) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL6758967 | 0.86 | CA14 (0.43) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL14396847 | 0.81 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL8736769 | 0.79 | HDAC1 (0.41) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL140146 | 0.79 | CA14 (0.55) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL3161597 | 0.79 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL1962811 | 0.79 | CA14 (0.55) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL21010750 | 0.79 | HDAC1 (0.41) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL21937996 | 0.79 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL136485 | 0.79 | CA14 (0.55) | CA14HDAC6HDAC1HDAC2CA12 |
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-2008051197-A2 | SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2008-05-02 | — | — | WO | disclosed |