Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.41 |
| ▸ | TTR | P02766 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100709 | 0.79 | TTR (0.65) | CES1TTRCA2CA12CA9 | |
| SCHEMBL28262541 | 0.79 | CA2 (0.42) | CES1TTRCA2CA12CA9 | |
| SCHEMBL21999876 | 0.79 | TTR (0.65) | CES1TTRCA2CA12CA9 | |
| SCHEMBL29711265 | 0.77 | CES1 (0.59) | CES1TTRBCHETGM2GAA | |
| SCHEMBL2259762 | 0.77 | CES1 (0.59) | CES1TTRBCHETGM2GAA | |
| SCHEMBL12805765 | 0.77 | ALDH1A1 (0.61) | CES1TTRCA2CA12CA9 | |
| SCHEMBL12805764 | 0.77 | ALDH1A1 (0.61) | CES1TTRCA2CA12CA9 | |
| SCHEMBL21999902 | 0.73 | ALDH1A1 (0.66) | CES1CA2CA12CA9BCHE | |
| SCHEMBL7099244 | 0.72 | ALDH1A1 (0.67) | CES1CA2CA12CA9BCHE | |
| SCHEMBL2823268 | 0.71 | ALDH1A1 (0.66) | CES1CA2CA12CA9BCHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2508512-A1 | Novel N,N'-hydrazino-bis-isatin derivatives with selective activity against multidrug-resistant cancer cells | King Saud University (SA) | 2012-10-10 | — | — | EP | disclosed |