Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL918576 | 0.78 | KMT2A (0.54) | CA1CA2CA4KMT2AMAPT | |
| SCHEMBL17691143 | 0.78 | — | — | |
| SCHEMBL22443149 | 0.74 | — | — | |
| SCHEMBL5918105 | 0.73 | CA1 (0.48) | CA1CA2CA4KMT2A | |
| SCHEMBL9680688 | 0.73 | MAPT (0.32) | MAPTALDH1A1 | |
| SCHEMBL21439529 | 0.68 | CA1 (0.38) | CA1CA2CA4KMT2AMAPT | |
| SCHEMBL13219285 | 0.68 | CA1 (0.38) | CA1CA2CA4KMT2AALDH1A1 | |
| SCHEMBL1608535 | 0.67 | — | — | |
| SCHEMBL721372 | 0.67 | CA1 (0.32) | CA1CA2CA4KMT2A | |
| SCHEMBL17627695 | 0.67 | CA1 (0.32) | CA1CA2CA4KMT2A |
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-8975084-B2 | Determination of cores or building blocks and reconstruction of parent molecules in heavy petroleums and other hydrocarbon resources | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2015-03-10 | — | — | US | disclosed |
| US-20120156798-A1 | DETERMINATION OF CORES OR BUILDING BLOCKS AND RECONSTRUCTION OF PARENT MOLECULES IN HEAVY PETROLEUMS AND OTHER HYDROCARBON RESOURCES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2012-06-21 | — | — | US | disclosed |