Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 8/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL359057 | 0.83 | ALDH1A1 (0.61) | ABCB1CHEK1ABCC1ALDH1A1L3MBTL1 | |
| SCHEMBL30423771 | 0.83 | ALDH1A1 (0.61) | ABCB1CHEK1ABCC1ALDH1A1L3MBTL1 | |
| SCHEMBL4533772 | 0.74 | L3MBTL1 (0.62) | ALDH1A1NPC1RAB9AL3MBTL1TDP1 | |
| SCHEMBL4608252 | 0.74 | CRHBP (0.42) | ABCB1ABCC1ALDH1A1TDP1KDM4E | |
| SCHEMBL4609299 | 0.74 | MAPT (0.48) | ALDH1A1TDP1KDM4EMAPTHPGD | |
| SCHEMBL7562427 | 0.73 | ALDH1A1 (0.61) | ABCB1ABCC1ALDH1A1NPC1RAB9A | |
| SCHEMBL11224598 | 0.73 | CHEK1 (0.61) | ABCB1CHEK1ABCC1ALDH1A1L3MBTL1 | |
| SCHEMBL5961843 | 0.71 | CYP3A4 (0.53) | ALDH1A1NPC1RAB9AL3MBTL1TDP1 | |
| SCHEMBL4635995 | 0.71 | KDM4E (0.50) | ALDH1A1NPC1RAB9AL3MBTL1TDP1 | |
| SCHEMBL1299335 | 0.70 | SMN1; SMN2 (0.50) | ABCB1CHEK1ABCC1ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1059927-B1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2008-07-30 | — | — | EP | disclosed |
| US-6369273-B1 | ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE | ASTRAZENECA AB (SE) | 2002-04-09 | — | — | US | disclosed |
| EP-1059927-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044618-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 1999-09-10 | — | — | WO | disclosed |