Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL37686 | 0.86 | NPC1 (0.63) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL21350016 | 0.82 | TYR (0.58) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL12066366 | 0.82 | NPC1 (0.52) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1915273 | 0.79 | LMNA (0.60) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1914539 | 0.79 | ALDH1A1 (0.60) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1915382 | 0.77 | ALDH1A1 (0.58) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1915437 | 0.76 | NPC1 (0.51) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1914499 | 0.75 | ATP4A (0.51) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1916446 | 0.75 | LMNA (0.54) | GSTO1NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL1915377 | 0.75 | CCNK (0.54) | GSTO1NPC1RAB9AL3MBTL1LMNA |
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-2011151436-A2 | NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | EUROSCREEN S.A. (BE) | 2011-12-08 | — | — | WO | disclosed |