Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HTR6 | P50406 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL3259829 | 0.91 | TSHR (0.68) | TSHRPOLBMAPK1HTR6HTT | |
| SCHEMBL9633094 | 0.87 | CA1 (0.58) | TSHRPOLBMAPK1HTR6MAPT | |
| SCHEMBL16797504 | 0.84 | MAPK1 (0.81) | TSHRPOLBMAPK1HTR6HTT | |
| SCHEMBL4608494 | 0.84 | TSHR (0.54) | TSHRPOLBMAPK1HTR6HTT | |
| SCHEMBL30291384 | 0.79 | MAPT (0.55) | TSHRPOLBMAPK1HTTMAPT | |
| SCHEMBL358860 | 0.79 | SMN1; SMN2 (0.59) | TSHRPOLBMAPK1HTTMAPT | |
| SCHEMBL8777970 | 0.79 | MAPT (0.55) | TSHRPOLBMAPK1HTTMAPT | |
| SCHEMBL30184665 | 0.79 | SMN1; SMN2 (0.59) | TSHRPOLBMAPK1HTTMAPT | |
| SCHEMBL11592522 | 0.79 | HTR6 (0.60) | HTR6MAPTALDH1A1PKMKDM4E | |
| SCHEMBL10947961 | 0.78 | CA12 (0.76) | TSHRPOLBMAPK1HTTMAPT |
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 |