Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 1.00 |
| ▸ | CA2 | P00918 | 2/20 | 1.00 |
| ▸ | BCHE | P06276 | 1/20 | 1.00 |
| ▸ | ACHE | P22303 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | BCL9 | O00512 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Paraoxon SCHEMBL26405 | 1.00 | CA1 (1.00) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL6259754 | 0.97 | CA1 (0.94) | CA1CA2BCHEACHEALDH1A1 | |
| Paraoxon SCHEMBL2597104 | 0.91 | MAPK1 (0.86) | CA1CA2BCHEACHEALDH1A1 | |
| Paraoxon SCHEMBL4750760 | 0.90 | CA1 (0.81) | CA1CA2BCHEACHEALDH1A1 | |
| Paraoxon SCHEMBL6925976 | 0.88 | CA1 (0.77) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL3233444 | 0.86 | CA1 (0.75) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL2596732 | 0.85 | CA1 (0.74) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL11310035 | 0.84 | CA1 (0.71) | CA1CA2BCHEACHEALDH1A1 | |
| P-Nitrophenyl-O-Ethyl Ethylphosphonate SCHEMBL29350630 | 0.84 | CA1 (0.72) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL6267678 | 0.84 | CA1 (0.72) | CA1CA2BCHEACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |