Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | DPP4 | P27487 | 3/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL24298760 | 0.90 | GRM4 (0.44) | HDAC8HDAC6DPP4SLC22A12IDO1 | |
| SCHEMBL27169503 | 0.87 | HDAC8 (0.53) | HDAC8HDAC6DPP4SLC22A12IDO1 | |
| SCHEMBL25905013 | 0.81 | HDAC8 (0.48) | HDAC8HDAC6DPP4SLC22A12IDO1 | |
| SCHEMBL27236967 | 0.79 | HDAC8 (0.46) | HDAC8HDAC6DPP4SLC22A12IDO1 | |
| SCHEMBL3326284 | 0.79 | DPP4 (0.49) | HDAC8HDAC6DPP4PGRL3MBTL1 | |
| SCHEMBL3326291 | 0.79 | DPP4 (0.49) | HDAC8HDAC6DPP4PGRL3MBTL1 | |
| SCHEMBL3326316 | 0.79 | DPP4 (0.49) | HDAC8HDAC6DPP4PGRL3MBTL1 | |
| SCHEMBL3125940 | 0.78 | HDAC8 (0.48) | HDAC8HDAC6DPP4SLC22A12IDO1 | |
| SCHEMBL9984392 | 0.78 | HDAC8 (0.48) | HDAC8HDAC6DPP4SLC22A12IDO1 | |
| SCHEMBL3025009 | 0.78 | DPP4 (0.50) | HDAC8HDAC6DPP4IDO1S1PR3 |
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-2022048605-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATIONS | 南昌奥瑞药业有限公司 | 2022-03-10 | — | — | WO | disclosed |