Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA7 | P43166 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 3/20 | 0.46 |
| ▸ | DBH | P09172 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | SYNJ2 | O15056 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17357499 | 0.87 | HDAC1 (0.59) | HDAC1PTGS2CA12CA1CA2 | |
| SCHEMBL30103853 | 0.83 | HDAC1 (0.75) | HDAC1PTGS2SIRT1CA12CA1 | |
| SCHEMBL5703332 | 0.83 | HDAC1 (0.75) | HDAC1PTGS2SIRT1CA12CA1 | |
| SCHEMBL19003626 | 0.82 | HDAC1 (0.53) | HDAC1PTGS2SIRT1CA12CA1 | |
| SCHEMBL1758415 | 0.80 | HDAC1 (0.59) | HDAC1PTGS2SIRT1CA12CA1 | |
| SCHEMBL23484907 | 0.79 | HDAC1 (0.53) | HDAC1PTGS2SIRT1CA12CA1 | |
| SCHEMBL9639982 | 0.77 | SIRT1 (0.47) | HDAC1PTGS2SIRT1CA12CA1 | |
| Methyl Protocatechuate SCHEMBL31206439 | 0.77 | CA12 (0.66) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL19763340 | 0.76 | HDAC1 (0.76) | HDAC1KDM4EMAPTPOLBL3MBTL1 | |
| SCHEMBL1758192 | 0.76 | CA12 (0.68) | PTGS2SIRT1CA12CA1CA2 |
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-2017106861-A1 | COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-06-22 | — | — | WO | disclosed |