Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2934845 | 0.88 | NPC1 (0.66) | NPC1LMNAHTTKMT2AALDH1A1 | |
| SCHEMBL28656166 | 0.87 | NPC1 (0.70) | NPC1LMNAHTTKMT2AMEN1 | |
| SCHEMBL2477387 | 0.85 | NPC1 (0.57) | NPC1LMNAHTTKMT2AMEN1 | |
| SCHEMBL16162272 | 0.85 | NPC1 (0.55) | NPC1LMNAHTTKMT2AMEN1 | |
| SCHEMBL18214571 | 0.84 | KCNK3 (0.53) | LMNASMN1; SMN2MAOBTP53GAA | |
| SCHEMBL28156355 | 0.83 | MAPT (0.55) | NPC1LMNAHTTKMT2AMEN1 | |
| SCHEMBL165944 | 0.82 | CTBP2 (0.57) | NPC1LMNAHTTKMT2AMEN1 | |
| SCHEMBL248073 | 0.82 | NPC1 (0.73) | NPC1LMNAHTTALDH1A1RAB9A | |
| SCHEMBL22001631 | 0.81 | CTBP2 (0.49) | NPC1LMNAHTTKMT2AMEN1 | |
| SCHEMBL7641019 | 0.81 | NPC1 (0.58) | NPC1LMNAHTTKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |