Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13778126 | 0.83 | USP30 (0.46) | ALDH1A1MAPT | |
| SCHEMBL29554269 | 0.80 | MAPT (0.40) | HTTDRD2ALDH1A1ROCK1IDO1 | |
| SCHEMBL31485111 | 0.80 | KDM4E (0.50) | HTTDRD2ALDH1A1SMN1; SMN2ROCK1 | |
| SCHEMBL1934039 | 0.80 | MAPT (0.40) | HTTDRD2ALDH1A1ROCK1IDO1 | |
| SCHEMBL15002039 | 0.80 | HTT (0.35) | HTTDRD2ALDH1A1ROCK1KDM4E | |
| SCHEMBL16101225 | 0.79 | ALDH1A1 (0.52) | HTTDRD2ALDH1A1ROCK1KDM4E | |
| SCHEMBL29776667 | 0.79 | ROCK1 (0.45) | HTTALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL13717591 | 0.79 | ROCK1 (0.45) | HTTALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL27338404 | 0.79 | LPL (0.38) | HTTALDH1A1CA1CA2CA9 | |
| SCHEMBL2798649 | 0.77 | DRD2 (0.49) | HTTDRD2ALDH1A1ROCK1KDM4E |
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-2011123937-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2011-10-13 | — | — | WO | disclosed |