Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 4/20 | 0.40 |
| ▸ | PGK2 | P07205 | 4/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL1538725 | 0.87 | PGK1 (0.48) | PGK1PGK2NOTUMTRPV4KIF11 | |
| SCHEMBL28019458 | 0.83 | PGK1 (0.39) | PGK1PGK2NOTUMKIF11DAO | |
| SCHEMBL3808194 | 0.78 | HDAC4 (0.46) | CES2CES1 | |
| SCHEMBL12028994 | 0.77 | HDAC4 (0.48) | PGK1PGK2NOTUMKIF11RXRA | |
| SCHEMBL3656714 | 0.76 | ACP3 (0.43) | — | |
| SCHEMBL27915690 | 0.76 | ACHE (0.48) | — | |
| SCHEMBL248466 | 0.75 | IDO1 (0.47) | NOTUM | |
| SCHEMBL8846879 | 0.75 | PGK1 (0.40) | PGK1PGK2NOTUMTRPV4KIF11 | |
| SCHEMBL29427058 | 0.75 | IDO1 (0.47) | NOTUM | |
| SCHEMBL23520554 | 0.73 | ADRB1 (0.39) | PGK1PGK2NOTUM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329523-B1 | FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS | ISIS PHARMACEUTICALS, INC. | 2001-12-11 | — | — | US | disclosed |
| WO-1998005961-A1 | COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS | ISIS PHARMACEUTICALS, INC. (US) | 1998-02-12 | — | — | WO | disclosed |