Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2175634 | 0.77 | EPHX1 (0.42) | SMN1; SMN2 | |
| SCHEMBL3550155 | 0.76 | HDAC3 (0.65) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL27076797 | 0.76 | HDAC3 (0.65) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL3550150 | 0.76 | HDAC3 (0.65) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL3551184 | 0.74 | HDAC3 (0.52) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL3551181 | 0.74 | HDAC3 (0.52) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL5719623 | 0.72 | HDAC3 (0.60) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL5719617 | 0.72 | HDAC3 (0.60) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL2179440 | 0.72 | HDAC3 (0.49) | HDAC3HDAC1HDAC2NPC1RAB9A | |
| SCHEMBL7919338 | 0.71 | LMNA (0.63) | HDAC3HDAC1HDAC2NPC1RAB9A |
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-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |