Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 3/20 | 0.34 |
| ▸ | IDH1 | O75874 | 3/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | HTR7 | P34969 | 3/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6021727 | 1.00 | NTSR1 (0.34) | NTSR1IDH1NR1H2NR1H3HTR1A | |
| Hydrochloric Acid SCHEMBL4860099 | 0.99 | NTSR1 (0.33) | NTSR1IDH1NR1H2NR1H3HTR1A | |
| Hydrochloric Acid SCHEMBL4849905 | 0.99 | NTSR1 (0.33) | NTSR1IDH1NR1H2NR1H3HTR1A | |
| Hydrochloric Acid SCHEMBL4849902 | 0.99 | NTSR1 (0.33) | NTSR1IDH1NR1H2NR1H3HTR1A | |
| SCHEMBL6021774 | 0.94 | OPRD1 (0.34) | IDH1NR1H2NR1H3HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL4857320 | 0.93 | OPRD1 (0.33) | IDH1NR1H2NR1H3HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL4851022 | 0.90 | TMEM97 (0.31) | TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4851029 | 0.90 | TMEM97 (0.31) | TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4849873 | 0.88 | DRD2 (0.37) | NTSR1HTR1AHTR7TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4855116 | 0.88 | DRD2 (0.37) | NTSR1HTR1AHTR7TMEM97SIGMAR1 |
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-1698620-B1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | EISAI R&D MAN CO LTD (JP) | 2016-09-28 | — | — | EP | disclosed |
| EP-1698620-A1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | Eisai Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |