Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5279762 | 0.87 | SMN1; SMN2 (0.46) | ESR1SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL5089567 | 0.78 | CTSA (0.54) | — | |
| SCHEMBL6250233 | 0.78 | FAAH (0.45) | SMN1; SMN2RAB9ANPC1HPGDCYP1A2 | |
| SCHEMBL6251048 | 0.77 | FAAH (0.41) | SMN1; SMN2L3MBTL1MAPK1ALDH1A1LMNA | |
| SCHEMBL5085765 | 0.77 | SMN1; SMN2 (0.50) | SMN1; SMN2RAB9ANPC1HPGDL3MBTL1 | |
| SCHEMBL844472 | 0.76 | SMN1; SMN2 (0.57) | SMN1; SMN2RAB9ANPC1HPGDCYP1A2 | |
| SCHEMBL14040614 | 0.76 | SMN1; SMN2 (0.57) | SMN1; SMN2RAB9ANPC1HPGDCYP1A2 | |
| SCHEMBL1721258 | 0.76 | SMN1; SMN2 (0.39) | ESR1SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL2149058 | 0.76 | FAAH (0.43) | SMN1; SMN2RAB9ANPC1HPGDCYP1A2 | |
| SCHEMBL5276551 | 0.76 | SMN1; SMN2 (0.45) | ESR1SMN1; SMN2RAB9ANPC1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2573068-A1 | Process for preparing intermediates of compounds useful as opioid receptor modulators | Janssen Pharmaceutica NV (BE) | 2013-03-27 | — | — | EP | disclosed |
| EP-1725537-A1 | NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005090315-A1 | NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2005-09-29 | — | — | WO | disclosed |