Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360409 | 0.87 | TDP1 (0.51) | RAB9ASMN1; SMN2NPC1TSHRALDH1A1 | |
| SCHEMBL22360406 | 0.85 | LMNA (0.52) | TP53RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL22360377 | 0.84 | RAB9A (0.55) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| SCHEMBL22360410 | 0.82 | MAPT (0.46) | TP53RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL22360412 | 0.79 | MAPT (0.42) | TP53RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL22360413 | 0.78 | HDAC1 (0.43) | TP53RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL22360403 | 0.78 | SMN1; SMN2 (0.55) | TP53RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL22360411 | 0.77 | TSHR (0.39) | TP53RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL21652188 | 0.76 | KIF11 (0.44) | RAB9ASMN1; SMN2NPC1MAPTLMNA | |
| SCHEMBL21652158 | 0.74 | L3MBTL1 (0.41) | RAB9ASMN1; SMN2NPC1ALDH1A1MAPT |
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-2020164403-A1 | 1,1-DICYANO-OXIME-ETHER COMPOUND AND APPLICATION THEREOF | 沈阳化工大学 | 2020-08-20 | — | — | WO | disclosed |