Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360370 | 0.86 | SMN1; SMN2 (0.57) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360484 | 0.85 | L3MBTL1 (0.34) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360371 | 0.81 | NPC1 (0.48) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360375 | 0.81 | MAPT (0.51) | NPC1ALDH1A1MAPTSMN1; SMN2RAB9A | |
| SCHEMBL22360419 | 0.81 | NOTUM (0.38) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360420 | 0.80 | SMN1; SMN2 (0.55) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360489 | 0.79 | SMN1; SMN2 (0.45) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360488 | 0.79 | SMN1; SMN2 (0.50) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360408 | 0.79 | NPC1 (0.46) | NPC1ALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL22360379 | 0.75 | POLB (0.49) | NPC1ALDH1A1MAPTSMN1; SMN2RAB9A |
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 |