Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16030844 | 0.80 | RAB9A (0.37) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL16033289 | 0.80 | AHR (0.39) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28383324 | 0.77 | NPC1 (0.47) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28173810 | 0.74 | ALDH1A1 (0.49) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28549492 | 0.69 | KDM4E (0.41) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL1905893 | 0.67 | NPC1 (0.36) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL4790793 | 0.62 | NPC1 (0.59) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL9570490 | 0.60 | NPC1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL21049681 | 0.60 | KDM4E (0.37) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL13961428 | 0.60 | NPC1 (0.55) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113164458-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2021-07-23 | — | — | CN | claimed |
| CN-107163044-B | Naphthylethylenedione compound with protease modification activity and derivative thereof | 广东药科大学 | 2021-04-23 | — | — | CN | disclosed |