Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | FGF1 | P05230 | 1/20 | 0.35 |
| ▸ | FGF2 | P09038 | 1/20 | 0.35 |
| ▸ | VEGFA | P15692 | 1/20 | 0.35 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.35 |
| ▸ | ATIC | P31939 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510604 | 0.85 | ADORA1 (0.44) | ADORA1FGF1FGF2VEGFAHPSE | |
| SCHEMBL8329378 | 0.85 | ADORA1 (0.44) | ADORA1FGF1FGF2VEGFAHPSE | |
| SCHEMBL4249731 | 0.81 | ATIC (0.48) | ATIC | |
| SCHEMBL27755867 | 0.74 | ADORA1 (0.36) | ADORA1 | |
| SCHEMBL3812504 | 0.73 | PYGB (0.40) | FGF1FGF2VEGFAHPSEAKR1B1 | |
| SCHEMBL3812993 | 0.71 | CA1 (0.38) | FGF1FGF2VEGFAHPSEAKR1B1 | |
| SCHEMBL29068760 | 0.71 | ADORA1 (0.41) | ADORA1AKR1B1 | |
| SCHEMBL11654755 | 0.71 | ALDH1A1 (0.41) | FGF1FGF2VEGFAHPSEAKR1B1 | |
| SCHEMBL3810831 | 0.69 | CA1 (0.50) | AKR1B1 | |
| SCHEMBL5189446 | 0.69 | AKR1B1 (0.53) | AKR1B1 |
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 |