Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.56 |
| ▸ | TUBB | P07437 | 1/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.56 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.56 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.56 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.56 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8622568 | 0.93 | ALDH1A1 (0.70) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL8625272 | 0.92 | ALDH1A1 (0.64) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL436813 | 0.91 | ALDH1A1 (0.72) | CYP1A2CYP2C19L3MBTL1ALDH1A1LMNA | |
| SCHEMBL8626158 | 0.88 | ALDH1A1 (0.64) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL8626259 | 0.87 | ALDH1A1 (0.58) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL8793402 | 0.87 | ALDH1A1 (0.83) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL8628407 | 0.85 | ALDH1A1 (0.86) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL1333620 | 0.84 | CYP1A2 (0.81) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| Dimethylamine SCHEMBL7254766 | 0.83 | ALDH1A1 (0.76) | CYP1A2CYP2C19CYP2D6HPGDL3MBTL1 | |
| SCHEMBL72751 | 0.82 | CA12 (0.69) | CYP1A2CYP2C19L3MBTL1ALDH1A1LMNA |
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 8 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-0617010-B1 | Therapeutic compounds | ASTRAZENECA AB (SE) | 2002-01-09 | — | — | EP | 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 |
| US-5900432-A | Therapeutic N-(4-benzoyl-2-methyl-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamides | ZENECA LIMITED (GB) | 1999-05-04 | — | — | US | disclosed |
| US-5482969-A | Certain N(4-benzoyl-2-phenyl)-3- trifluoro-2-hydroxy-propanamide derivatives | ZENECA LIMITED (GB) | 1996-01-09 | — | — | US | disclosed |
| EP-0617010-A1 | Therapeutic compounds | ZENECA LIMITED (GB) | 1994-09-28 | — | — | EP | disclosed |