Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.58 |
| ▸ | BCHE | P06276 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | MIF | P14174 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KLK7 | P49862 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28477622 | 1.00 | ACHE (0.58) | ACHEBCHENPC1RAB9ABACE1 | |
| SCHEMBL28459633 | 0.90 | NPC1 (0.60) | ACHEBCHENPC1RAB9ABACE1 | |
| SCHEMBL29598999 | 0.90 | NPC1 (0.60) | ACHEBCHENPC1RAB9ABACE1 | |
| SCHEMBL6481314 | 0.81 | NPC1 (0.61) | ACHEBCHENPC1RAB9ABACE1 | |
| SCHEMBL28477624 | 0.78 | NPC1 (0.57) | ACHEBCHENPC1RAB9ABACE1 | |
| SCHEMBL28895384 | 0.76 | KDM4E (0.62) | NPC1RAB9AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL30051200 | 0.76 | KDM4E (0.62) | NPC1RAB9AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28472846 | 0.75 | ADAM17 (0.45) | ACHEBCHEKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL29558382 | 0.75 | ADAM17 (0.45) | ACHEBCHEKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL25242254 | 0.74 | GPR35 (0.72) | NPC1RAB9AKDM4EPGRMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-111423406-B | Pyranolactone compound and preparation method and application thereof | 云南中烟工业有限责任公司 | 2022-05-13 | — | — | CN | disclosed |