Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | SLC10A1 | Q14973 | 3/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23010422 | 0.91 | GRM4 (0.48) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL22380391 | 0.91 | GRM4 (0.48) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL23010473 | 0.89 | GRM4 (0.47) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL21427894 | 0.86 | GRM4 (0.44) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL25645198 | 0.86 | GRM4 (0.44) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL30093994 | 0.86 | GRM4 (0.44) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL21427905 | 0.86 | GRM4 (0.44) | GRM4NPC1RAB9AIMPDH2SLC10A1 | |
| SCHEMBL23010472 | 0.86 | GRM4 (0.42) | GRM4SLC10A1 | |
| SCHEMBL21428050 | 0.86 | GRM4 (0.43) | GRM4NPC1RAB9ASLC10A1MEN1 | |
| SCHEMBL19881932 | 0.84 | GRM4 (0.50) | GRM4IMPDH2KCNQ3KCNQ2KCNE1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974753-A | N-containing heterocyclic five-membered ring compound and application | 正大天晴药业集团股份有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-115974754-A | N-containing heterocyclic five-membered ring compound and application | 正大天晴药业集团股份有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-111868026-B | Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof | 正大天晴药业集团股份有限公司 | 2022-11-25 | — | — | CN | disclosed |
| WO-2019185016-A1 | N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 正大天晴药业集团股份有限公司 | 2019-10-03 | — | — | WO | disclosed |
| WO-2019185016-A1 | N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 正大天晴药业集团股份有限公司 | 2019-10-03 | — | — | WO | disclosed |