Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 8/20 | 0.32 |
| ▸ | TP53 | P04637 | 7/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | XPO1 | O14980 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5949847 | 1.00 | AOC3 (0.36) | AOC3CPB2MDM2TP53S1PR3 | |
| SCHEMBL5949849 | 1.00 | AOC3 (0.36) | AOC3CPB2MDM2TP53S1PR3 | |
| SCHEMBL5950226 | 0.90 | AOC3 (0.35) | AOC3CPB2S1PR3SMN1; SMN2BACE1 | |
| SCHEMBL6435807 | 0.90 | APP (0.32) | — | |
| SCHEMBL6435801 | 0.90 | APP (0.32) | — | |
| SCHEMBL7977761 | 0.89 | AOC3 (0.35) | AOC3CPB2S1PR3BACE1XPO1 | |
| SCHEMBL7716940 | 0.85 | AOC3 (0.38) | AOC3S1PR3BACE1 | |
| SCHEMBL7716942 | 0.85 | AOC3 (0.38) | AOC3S1PR3BACE1 | |
| SCHEMBL9267480 | 0.84 | AOC3 (0.36) | AOC3S1PR3ITGB1ITGA4BACE1 | |
| SCHEMBL7716904 | 0.84 | AOC3 (0.36) | AOC3CPB2S1PR3BACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087943-B1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LTD (GB) | 2005-08-17 | — | — | EP | disclosed |
| US-6251925-B1 | AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR | GLAXO WELLCOME INC. | 2001-06-26 | — | — | US | disclosed |
| EP-1087943-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065877-A1 | THERAPEUTIC BIARYL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1999-12-23 | — | — | WO | disclosed |