Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL2706632 | 0.75 | ALDH1A1 (0.58) | ALDH1A1TDP1PRKCA | |
| SCHEMBL3060243 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TDP1 | |
| SCHEMBL29217849 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TDP1PRKCA | |
| Methyl Isobutyl Ketone SCHEMBL5804777 | 0.72 | ALDH1A1 (0.64) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL16316004 | 0.70 | ALDH1A1 (0.46) | ALDH1A1TDP1 | |
| SCHEMBL5512925 | 0.70 | SLC22A6 (0.36) | TDP1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL14269784 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL4984251 | 0.68 | CACNA2D1 (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL7540967 | 0.68 | — | — | |
| SCHEMBL4984202 | 0.68 | — | — |
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-2010065174-A1 | NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS | LEAD THERAPEUTICS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |