Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 3/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL4753125 | 0.76 | CA9 (0.40) | CA9CA12CA1CA2CA7 | |
| SCHEMBL4753134 | 0.76 | CES1 (0.44) | CA9CA12CA1CA2CA7 | |
| SCHEMBL4752983 | 0.68 | PARP1 (0.37) | CA9CA12CA1CA2CA7 | |
| SCHEMBL20505096 | 0.66 | MAPT (0.44) | — | |
| SCHEMBL20723 | 0.66 | MAPT (0.44) | — | |
| SCHEMBL2165115 | 0.65 | CA12 (0.42) | CA9CA12CA1CA2CA7 | |
| SCHEMBL3826696 | 0.63 | GRM5 (0.30) | — | |
| SCHEMBL21296775 | 0.63 | GSK3B (0.52) | CA9CA12CA1CA2CA7 | |
| SCHEMBL555451 | 0.63 | GSK3B (0.52) | CA9CA12CA1CA2CA7 | |
| SCHEMBL1346633 | 0.62 | CREBBP (0.39) | CA9CA12CA1CA2CA7 |
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-2008146064-A1 | NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION | EGIS GYÓGYSZERGYÁR (HU) | 2008-12-04 | — | — | WO | disclosed |