Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.50 |
| ▸ | NPC1 | O15118 | 11/20 | 0.50 |
| ▸ | RAB9A | P51151 | 11/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360489 | 0.91 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL22360370 | 0.85 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL22360375 | 0.83 | MAPT (0.51) | SMN1; SMN2NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL22360371 | 0.81 | NPC1 (0.48) | SMN1; SMN2NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL22360419 | 0.80 | NOTUM (0.38) | SMN1; SMN2NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL22360407 | 0.79 | MAPT (0.42) | SMN1; SMN2NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL22360490 | 0.79 | NPC1 (0.42) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL2090240 | 0.77 | NPC1 (0.59) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL22360372 | 0.76 | ANO1 (0.47) | SMN1; SMN2NPC1RAB9AL3MBTL1HPGD | |
| SCHEMBL22360378 | 0.76 | RAB9A (0.52) | SMN1; SMN2NPC1RAB9AHPGDALDH1A1 |
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 |