Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24754283 | 0.83 | CA12 (0.51) | NPC1RAB9ASMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL24939760 | 0.82 | CA12 (0.44) | RAB9ASMN1; SMN2TSHRMAPTCYP2D6 | |
| SCHEMBL30386922 | 0.79 | GRM2 (0.47) | GRM2L3MBTL1CYP1A2HDAC1HDAC6 | |
| SCHEMBL25054189 | 0.79 | GRM2 (0.47) | GRM2L3MBTL1CYP1A2HDAC1HDAC6 | |
| SCHEMBL8786889 | 0.77 | MAPT (0.51) | SMN1; SMN2TSHRMAPTL3MBTL1LMNA | |
| SCHEMBL24302316 | 0.77 | CA12 (0.46) | NPC1RAB9ASMN1; SMN2MAPTHDAC1 | |
| SCHEMBL23117302 | 0.75 | KDM4E (0.47) | SMN1; SMN2TSHRMAPTLMNAGAA | |
| SCHEMBL24754290 | 0.74 | MAPT (0.43) | NPC1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL31323471 | 0.74 | MAPT (0.43) | NPC1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL25603244 | 0.74 | MAPT (0.43) | NPC1RAB9ASMN1; SMN2MAPTL3MBTL1 |
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-2023001028-A1 | HETEROARYL-3-PIPERIDINEDIONE COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2023-01-26 | — | — | WO | disclosed |