Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 1/20 | 0.60 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | EDNRA | P25101 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.49 |
| ▸ | RXRB | P28702 | 1/20 | 0.49 |
| ▸ | RXRG | P48443 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | CTSV | O60911 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1989711 | 0.84 | L3MBTL1 (0.50) | MRGPRX4MAPK1L3MBTL1MEN1KMT2A | |
| SCHEMBL16223754 | 0.84 | SLC22A12 (0.50) | PTGER1MRGPRX4SGMS2HTTRXRA | |
| SCHEMBL4403623 | 0.82 | FOLH1 (0.51) | PTGER1MRGPRX4MAPTTDP1L3MBTL1 | |
| SCHEMBL851497 | 0.82 | L3MBTL1 (0.60) | PTGER1MRGPRX4MAPTMAPK1TDP1 | |
| SCHEMBL29433417 | 0.82 | SGMS2 (0.66) | PTGER1MAPTL3MBTL1SGMS2FOLH1 | |
| SCHEMBL1984974 | 0.82 | HTT (0.53) | PTGER1MRGPRX4MAPTMAPK1TDP1 | |
| SCHEMBL112903 | 0.82 | SGMS2 (0.66) | PTGER1MAPTL3MBTL1SGMS2FOLH1 | |
| SCHEMBL410077 | 0.81 | PTGER1 (0.76) | PTGER1MRGPRX4MAPTMAPK1TDP1 | |
| SCHEMBL2452396 | 0.81 | FOLH1 (0.56) | PTGER1SGMS2FOLH1KMT2AHTT | |
| SCHEMBL15344604 | 0.81 | KMT2A (0.50) | MAPTMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200997-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF | Concert Pharmaceuticals Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009035652-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF | CONCERT PHARMACEUTICALS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |