Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2183709 | 0.90 | EPHX1 (0.59) | EPHX1SMN1; SMN2MMP9MMP8MMP13 | |
| SCHEMBL4938891 | 0.81 | ESR1 (0.47) | EPHX1MAPTMMP9MMP8MMP13 | |
| SCHEMBL11103580 | 0.80 | EPHX1 (0.49) | EPHX1PTGS2SMN1; SMN2L3MBTL1CTSS | |
| SCHEMBL3916057 | 0.79 | FFAR1 (0.53) | EPHX1PTGS2L3MBTL1CTSSCTSK | |
| SCHEMBL27658097 | 0.79 | ALDH1A1 (0.45) | EPHX1HPGDMMP9MMP8MMP13 | |
| SCHEMBL528414 | 0.79 | EPHX1 (0.56) | EPHX1MMP9MMP8MMP13 | |
| SCHEMBL3637896 | 0.79 | FFAR2 (0.50) | L3MBTL1MMP9MMP8MMP13CYP1A2 | |
| SCHEMBL1945087 | 0.78 | EPHX1 (0.54) | EPHX1MMP9MMP8MMP13 | |
| Hydrochloric Acid SCHEMBL31092601 | 0.78 | EPHX1 (0.54) | EPHX1MMP9MMP8MMP13 | |
| SCHEMBL6037976 | 0.77 | CTSK (0.45) | EPHX1CTSSCTSK |
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-1542977-A1 | 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. | AstraZeneca AB (SE) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004020415-A1 | 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. | ASTRAZENECA AB (SE) | 2004-03-11 | — | — | WO | disclosed |
| CN-1085661-C | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 2002-05-29 | — | — | CN | disclosed |
| CN-1161033-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 1997-10-01 | — | — | CN | disclosed |