Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8154102 | 0.82 | ABCB1 (0.32) | CRHBPCRHR2ABCC1ABCB1 | |
| SCHEMBL14928247 | 0.81 | CRHBP (0.53) | CRHBPCRHR2ALDH1A1MAPK1AAK1 | |
| SCHEMBL30145522 | 0.81 | CRHBP (0.53) | CRHBPCRHR2ALDH1A1MAPK1AAK1 | |
| SCHEMBL4609299 | 0.81 | MAPT (0.48) | CRHBPCRHR2ALDH1A1MAPK1ALOX5 | |
| SCHEMBL4608316 | 0.74 | ABCB1 (0.44) | ALDH1A1ABCC1ABCB1KDM4EMAPT | |
| SCHEMBL16997449 | 0.71 | TDP1 (0.50) | CRHBPCRHR2ALDH1A1AAK1ABCC1 | |
| SCHEMBL27403956 | 0.71 | CRHBP (0.56) | CRHBPCRHR2ALDH1A1MAPK1ALOX5 | |
| SCHEMBL2601600 | 0.70 | CRHBP (0.58) | CRHBPCRHR2ALDH1A1MAPK1ABCC1 | |
| SCHEMBL14928233 | 0.70 | MEN1 (0.51) | CRHBPCRHR2ALDH1A1AAK1ABCC1 | |
| SCHEMBL9197991 | 0.70 | AAK1 (0.60) | ALDH1A1MAPK1AAK1MEN1MAPT |
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 |