Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GYS1 | P13807 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL31417767 | 0.84 | RORC (0.38) | GRM5GYS1 | |
| SCHEMBL31417750 | 0.82 | GRM5 (0.46) | GRM5ALDH1A1GYS1SMN1; SMN2NPC1 | |
| SCHEMBL31417704 | 0.82 | GRM5 (0.46) | GRM5ALDH1A1GYS1SMN1; SMN2NPC1 | |
| SCHEMBL31417593 | 0.82 | PKM (0.36) | GRM5GYS1SMN1; SMN2 | |
| SCHEMBL26171964 | 0.81 | GRM5 (0.36) | GRM5S1PR5CYP1A2ADORA1 | |
| SCHEMBL30511792 | 0.76 | MYC (0.38) | GRM5NPC1RAB9A | |
| SCHEMBL26172139 | 0.72 | GRM5 (0.41) | GRM5ALDH1A1NPC1HPGDNPSR1 | |
| SCHEMBL24801556 | 0.72 | S1PR5 (0.37) | GRM5S1PR5CYP1A2 | |
| SCHEMBL26171399 | 0.72 | S1PR5 (0.46) | GRM5S1PR5CYP1A2 | |
| SCHEMBL29134195 | 0.71 | GRM5 (0.36) | GRM5ALDH1A1SMN1; SMN2S1PR5CYP1A2 |
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-2025016457-A1 | NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR | 杭州德睿智药科技有限公司 | 2025-01-23 | — | — | WO | disclosed |