Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PPIB | P23284 | 1/20 | 0.36 |
| ▸ | PPIA | P62937 | 1/20 | 0.36 |
| ▸ | PPID | Q08752 | 1/20 | 0.36 |
| ▸ | PPIG | Q13427 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL973836 | 0.89 | NPC1 (0.46) | NPC1RAB9AESRRGMETGAA | |
| SCHEMBL30479471 | 0.78 | NPC1 (0.46) | NPC1RAB9AESRRGMETPPIB | |
| SCHEMBL972841 | 0.77 | NPC1 (0.48) | NPC1RAB9AESRRGMETGAA | |
| SCHEMBL27574189 | 0.77 | NPC1 (0.48) | NPC1RAB9AESRRGMETPPIB | |
| SCHEMBL15650646 | 0.75 | NPC1 (0.51) | NPC1RAB9AESRRGMETPPIB | |
| SCHEMBL30958195 | 0.74 | IDO1 (0.48) | ESRRGIDO1CA2CA1SMN1; SMN2 | |
| SCHEMBL25266889 | 0.73 | NAAA (0.42) | NPC1RAB9ACA2CA1MAPT | |
| SCHEMBL25238911 | 0.73 | NAAA (0.42) | NPC1RAB9ACA2CA1MAPT | |
| SCHEMBL448114 | 0.72 | CA2 (0.58) | ESRRGIDO1CA2CA1MAPT | |
| SCHEMBL22403769 | 0.71 | GLA (0.51) | NPC1RAB9AESRRGMETGAA |
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-2650287-A1 | Thiazole Derivative and use thereof as VAP-1 Inhibitor | R-Tech Ueno, Ltd. (JP) | 2013-10-16 | — | — | EP | disclosed |