Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19805592 | 0.89 | L3MBTL1 (0.39) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL24186853 | 0.83 | HDAC6 (0.37) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL23274165 | 0.83 | CA14 (0.39) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL20901229 | 0.82 | CA14 (0.41) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL10650747 | 0.82 | CA14 (0.41) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL4994872 | 0.81 | L3MBTL1 (0.42) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL20029274 | 0.81 | CA14 (0.40) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL17770845 | 0.79 | TDP1 (0.42) | CA14HDAC6HDAC1HDAC2L3MBTL1 | |
| SCHEMBL24508189 | 0.78 | L3MBTL1 (0.40) | CA14CA12CA1CA7HDAC6 | |
| SCHEMBL19188019 | 0.78 | CA14 (0.38) | CA14CA12CA1CA7HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020020097-A1 | PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST | BEIGENE, LTD. (KY) | 2020-01-30 | — | — | WO | disclosed |
| WO-2010139692-A2 | ANTIVIRAL TRITERPENE DERIVATIVES | SAVIRA PHARMACEUTICALS GMBH (AT) | 2010-12-09 | — | — | WO | disclosed |