Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.61 |
| ▸ | CA9 | Q16790 | 6/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | GLA | P06280 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | IL2 | P60568 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.45 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL724524 | 1.00 | CA12 (0.61) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL578576 | 0.91 | CA12 (0.64) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL8098515 | 0.87 | CA12 (0.62) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL3366849 | 0.85 | CA12 (0.71) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL3361018 | 0.82 | CA12 (0.70) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL6228083 | 0.81 | CA12 (0.74) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL15500612 | 0.79 | KDM4E (0.51) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL382083 | 0.79 | CA12 (0.74) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL15942903 | 0.79 | KDM4E (0.51) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL3022467 | 0.78 | CA12 (0.69) | CA12CA9CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012027612-A1 | MASS SPECTROMETRIC COMPOSITIONS AND METHODS FOR LYSOSOMAL STORAGE DISEASE SCREENING | GELB MICHAEL (US) | 2012-03-01 | — | — | WO | disclosed |