Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL22872917 | 0.77 | NPC1 (0.47) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL30831920 | 0.77 | NPC1 (0.47) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL11904012 | 0.73 | VHL (0.49) | CA12CA1CA9PSMB8CYP17A1 | |
| SCHEMBL7909165 | 0.72 | MMP8 (0.44) | CA12CA1CA9NPC1RAB9A | |
| SCHEMBL17920282 | 0.71 | DGAT1 (0.47) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL31406453 | 0.71 | CA12 (0.55) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL14904889 | 0.71 | NPC1 (0.47) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL20809519 | 0.70 | PYGL (0.47) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL21788610 | 0.70 | SIRT2 (0.61) | CA12CA1CA9SIRT2SIRT1 | |
| SCHEMBL1115122 | 0.69 | CA12 (0.47) | CA12CA1CA9SIRT2SIRT1 |
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-2487171-A1 | Dihydrobenzopyran, thiochroman, tetrahydroquinoleine and tetrahydronaphthalene derivatives and their use in anti-cancer therapy | Université de Liège (BE) | 2012-08-15 | — | — | EP | disclosed |