Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | ACACB | O00763 | 3/20 | 0.31 |
| ▸ | ACACA | Q13085 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31428746 | 1.00 | GRM2 (0.35) | GRM2HSD11B1EZH2NR1H4HDAC1 | |
| SCHEMBL31428465 | 0.95 | GRM2 (0.39) | GRM2HSD11B1EZH2NR1H4HDAC1 | |
| SCHEMBL24975808 | 0.92 | SLC6A2 (0.39) | GRM2HSD11B1EZH2NR1H4SLC6A2 | |
| SCHEMBL31428558 | 0.91 | GRM2 (0.35) | GRM2HSD11B1EZH2NR1H4SLC6A2 | |
| SCHEMBL24975810 | 0.91 | GRM2 (0.35) | GRM2HSD11B1EZH2NR1H4SLC6A2 | |
| SCHEMBL24975439 | 0.91 | IRAK1 (0.36) | GRM2 | |
| SCHEMBL31428821 | 0.91 | IRAK1 (0.36) | GRM2 | |
| SCHEMBL31428419 | 0.90 | EZH2 (0.36) | GRM2HSD11B1EZH2NR1H4HDAC1 | |
| SCHEMBL31428920 | 0.86 | GRM2 (0.38) | GRM2 | |
| SCHEMBL31428693 | 0.85 | ALDH1A1 (0.33) | HSD11B1EZH2NR1H4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023008577-A1 | RAS/RAF BINDING INHIBITOR COMPOUND | 国立大学法人神戸大学 | 2023-02-02 | — | — | WO | disclosed |