Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.52 |
| ▸ | CA1 | P00915 | 9/20 | 0.52 |
| ▸ | CA12 | O43570 | 9/20 | 0.52 |
| ▸ | CA9 | Q16790 | 9/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4443515 | 0.98 | CA2 (0.54) | CA2CA1CA12CA9HTT | |
| SCHEMBL6515026 | 0.89 | CA2 (0.58) | CA2CA1CA12CA9HTT | |
| SCHEMBL3879352 | 0.86 | CA2 (0.60) | CA2CA1CA12CA9HTT | |
| Potassium Ion SCHEMBL11805822 | 0.86 | CA2 (0.64) | CA2CA1CA12CA9HTT | |
| Potassium Ion SCHEMBL7562133 | 0.86 | CA2 (0.64) | CA2CA1CA12CA9HTT | |
| SCHEMBL27470250 | 0.86 | CA2 (0.60) | CA2CA1CA12CA9HTT | |
| SCHEMBL16290412 | 0.86 | CA2 (0.60) | CA2CA1CA12CA9HTT | |
| Ammonia Solution, Strong SCHEMBL25306979 | 0.84 | CA2 (0.58) | CA2CA1CA12CA9HTT | |
| SCHEMBL29131552 | 0.71 | ALDH1A1 (0.41) | CA2CA1CA12CA9HTT | |
| SCHEMBL10897991 | 0.69 | HTT (0.42) | CA2CA1CA12CA9HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125762-B1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | SHELL INT RESEARCH (NL) | 2013-12-11 | — | — | EP | disclosed |
| EP-2125762-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | Shell Internationale Research Maatschappij B.V. (NL) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008092944-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2008-08-07 | — | — | WO | disclosed |