Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 5/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Dihydroxyacetone SCHEMBL437884 | 0.89 | LPAR2 (0.41) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| Ether SCHEMBL2867631 | 0.89 | LPAR3 (0.41) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| Ether SCHEMBL17529974 | 0.88 | PPARD (0.38) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| 2-Ethoxyethanol SCHEMBL8226551 | 0.81 | ALDH1A1 (0.48) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| Trolamine SCHEMBL2989362 | 0.81 | MEN1 (0.35) | LPAR3LPAR2FNTAFNTBPPARD | |
| Alcohol SCHEMBL11778974 | 0.80 | LPAR3 (0.42) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| Alcohol SCHEMBL28740948 | 0.80 | LPAR3 (0.42) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| Alcohol SCHEMBL27633532 | 0.80 | LPAR3 (0.42) | LPAR3LPAR2FNTAFNTBBTN3A1 | |
| SCHEMBL30321 | 0.78 | — | — | |
| SCHEMBL15847030 | 0.78 | LPAR3 (0.50) | LPAR3LPAR2FNTAFNTBBTN3A1 |
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 3 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 |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |