Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | FGF1 | P05230 | 1/20 | 0.37 |
| ▸ | FGF2 | P09038 | 1/20 | 0.37 |
| ▸ | VEGFA | P15692 | 1/20 | 0.37 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329378 | 1.00 | ADORA1 (0.44) | ADORA1CA1CA2CA9FGF1 | |
| SCHEMBL3812504 | 0.88 | PYGB (0.40) | CA1CA2CA9FGF1FGF2 | |
| SCHEMBL3812993 | 0.86 | CA1 (0.38) | CA1CA2CA9FGF1FGF2 | |
| SCHEMBL18642492 | 0.85 | CA1 (0.50) | CA1CA2CA9AKR1B1 | |
| SCHEMBL6934741 | 0.85 | CA1 (0.50) | CA1CA2CA9AKR1B1 | |
| SCHEMBL3810831 | 0.85 | CA1 (0.50) | CA1CA2CA9AKR1B1 | |
| SCHEMBL7253811 | 0.85 | CA1 (0.50) | CA1CA2CA9AKR1B1 | |
| SCHEMBL9616492 | 0.85 | CA1 (0.50) | CA1CA2CA9AKR1B1 | |
| SCHEMBL2508682 | 0.85 | ADORA1 (0.37) | ADORA1FGF1FGF2VEGFAHPSE | |
| SCHEMBL3816892 | 0.83 | MAPK1 (0.39) | CA1CA2CA9AKR1B1 |
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-20140309186-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION | 2014-10-16 | — | — | US | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |