Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | STK33 | Q9BYT3 | 9/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | RPS6KB2 | Q9UBS0 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1905773 | 0.88 | RAB9A (0.55) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL5507978 | 0.86 | NPC1 (0.64) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL16390944 | 0.83 | HSD17B10 (0.55) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL6237123 | 0.82 | ALDH1A1 (0.66) | NPC1RAB9ALMNACASP1CASP7 | |
| SCHEMBL9960897 | 0.81 | KDM4E (0.56) | NPC1RAB9ALMNAALDH1A1HPGD | |
| SCHEMBL1902589 | 0.81 | CASP1 (0.64) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL1903037 | 0.79 | NPC1 (0.68) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL1904092 | 0.79 | NPC1 (0.58) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL1905757 | 0.79 | NPC1 (0.55) | NPC1RAB9ALMNAGLACASP1 | |
| SCHEMBL1901859 | 0.77 | NPC1 (0.68) | NPC1RAB9ALMNAGLACASP1 |
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-2005007099-A2 | PKB INHIBITORS AS ANTI-TUMOR AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-27 | — | — | WO | disclosed |