Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.59 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8045525 | 0.98 | NR1H2 (0.58) | NR1H2NR1H3MAPTTP53CALM1 | |
| SCHEMBL988388 | 0.87 | NR1H2 (0.49) | NR1H2NR1H3MAPTTP53TSHR | |
| SCHEMBL8441765 | 0.85 | NR1H2 (0.47) | NR1H2NR1H3MAPTTP53ESR1 | |
| SCHEMBL8755369 | 0.85 | NR1H2 (0.47) | NR1H2NR1H3MAPTTP53ESR1 | |
| SCHEMBL15863715 | 0.85 | NR1H2 (0.51) | NR1H2NR1H3MAPTTP53CALM1 | |
| SCHEMBL14968791 | 0.80 | NR1H2 (0.47) | NR1H2NR1H3MAPTESR1ESR2 | |
| SCHEMBL6264576 | 0.80 | NR1H2 (0.42) | NR1H2NR1H3MAPTTP53CALM1 | |
| SCHEMBL21870365 | 0.78 | NR1H2 (0.42) | NR1H2NR1H3MAPT | |
| SCHEMBL4682428 | 0.76 | NR1H2 (0.40) | NR1H2NR1H3MAPTTP53CALM1 | |
| SCHEMBL9223926 | 0.76 | TDP1 (0.46) | NR1H2NR1H3MAPTTP53ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023222245-A1 | PROCESS FOR PRODUCING ORGANOSILICON COMPOUNDS | WACKER CHEMIE AG (DE) | 2023-11-23 | — | — | WO | disclosed |
| EP-0861247-B1 | NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | AVENTIS PHARMA SA (FR) | 2009-10-07 | — | — | EP | disclosed |
| EP-0858459-B1 | NOVEL ACID PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, NOVEL USE THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | AVENTIS PHARMA SA (FR) | 2002-09-04 | — | — | EP | disclosed |
| EP-0861247-A1 | NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | HOECHST MARION ROUSSEL (FR) | 1998-09-02 | — | — | EP | disclosed |
| EP-0858459-A1 | NOVEL ACID PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, NOVEL USE THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | HOECHST MARION ROUSSEL (FR) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997017339-A1 | NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | HOECHST MARION ROUSSEL (FR) | 1997-05-15 | — | — | WO | disclosed |
| WO-1997015570-A1 | NOVEL ACID PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, NOVEL USE THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | HOECHST MARION ROUSSEL (FR) | 1997-05-01 | — | — | WO | disclosed |