Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL11536323 | 0.88 | CES1 (0.61) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL17080312 | 0.85 | CES1 (0.58) | CES1CES2NPC1RAB9AKMT2A | |
| SCHEMBL2793473 | 0.84 | CYP2C9 (0.58) | CES1CES2NPC1RAB9AKMT2A | |
| SCHEMBL28711201 | 0.84 | KMT2A (0.60) | CES1CES2NPC1RAB9AKMT2A | |
| SCHEMBL242506 | 0.84 | CES1 (0.54) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL9850356 | 0.82 | CES1 (0.54) | CES1CES2NPC1RAB9AALDH1A1 | |
| SCHEMBL2319756 | 0.81 | KMT2A (0.54) | CES1CES2NPC1RAB9AKMT2A | |
| SCHEMBL12260648 | 0.81 | CES1 (0.58) | CES1CES2NPC1RAB9AKMT2A | |
| SCHEMBL14002002 | 0.81 | CES1 (0.52) | CES1CES2NPC1RAB9AKMT2A | |
| SCHEMBL13280462 | 0.81 | KMT2A (0.53) | CES1NPC1RAB9AKMT2AMEN1 |
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 4 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 |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | 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 |