Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851287 | 0.83 | ALDH1A1 (0.52) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL5800529 | 0.80 | CA1 (0.50) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL6701324 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL3141855 | 0.77 | KCNH3 (0.63) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| Hydrochloric Acid SCHEMBL7504066 | 0.75 | KCNH3 (0.66) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL28142388 | 0.75 | ALDH1A1 (0.64) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL28358317 | 0.74 | CA12 (0.59) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL11612514 | 0.73 | ALDH1A1 (0.53) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| SCHEMBL6824926 | 0.73 | CA12 (0.54) | ALDH1A1MAPTRECQLHSD17B10CA1 | |
| Glycine SCHEMBL8137571 | 0.73 | MEN1 (0.47) | ALDH1A1MAPTRECQLHSD17B10CA1 |
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-2010075197-A1 | KINASE INHIBITORS | ALLERGAN, INC. (US) | 2010-07-01 | — | — | WO | disclosed |