Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360421 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL22360387 | 0.85 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HSD17B1RAB9ANPC1 | |
| SCHEMBL22360425 | 0.80 | MAPT (0.44) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL22360415 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL22360426 | 0.79 | KDM4E (0.45) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL22360427 | 0.78 | PTGS1 (0.30) | HRH3 | |
| SCHEMBL22360417 | 0.78 | HDAC1 (0.37) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL22360430 | 0.77 | NPC1 (0.39) | ALDH1A1MEN1KMT2ANPC1NPSR1 | |
| SCHEMBL22360382 | 0.75 | TP53 (0.52) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL22360423 | 0.75 | HDAC1 (0.40) | ALDH1A1MEN1KMT2AKDM4ENPC1 |
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 |