Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.58 |
| ▸ | CES1 | P23141 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1546852 | 0.91 | CES2 (0.58) | CES2CES1L3MBTL1LMNAALDH1A1 | |
| SCHEMBL66875 | 0.91 | CES2 (0.58) | CES2CES1LMNAALDH1A1KDM4E | |
| SCHEMBL20576195 | 0.84 | MAPK1 (0.57) | CES2CES1L3MBTL1RAB9ANPC1 | |
| SCHEMBL11754374 | 0.82 | CES2 (0.58) | CES2CES1POLBL3MBTL1RAB9A | |
| SCHEMBL11746499 | 0.82 | CES2 (0.58) | CES2CES1POLBL3MBTL1RAB9A | |
| SCHEMBL11623528 | 0.82 | CES2 (0.50) | CES2CES1POLBL3MBTL1NPC1 | |
| SCHEMBL10392118 | 0.82 | CES2 (0.54) | CES2CES1LMNAALDH1A1KDM4E | |
| SCHEMBL11623531 | 0.82 | CES2 (0.50) | CES2CES1POLBL3MBTL1NPC1 | |
| SCHEMBL18790759 | 0.82 | CES2 (0.50) | CES2CES1LMNAALDH1A1KDM4E | |
| SCHEMBL142538 | 0.81 | CES2 (0.74) | CES2CES1L3MBTL1LMNAALDH1A1 |
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 |