Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL23956334 | 0.82 | IDO1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL21290150 | 0.79 | NPC1 (0.56) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21290149 | 0.77 | IDO1 (0.48) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL23956222 | 0.76 | NPC1 (0.67) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21290361 | 0.74 | POLB (0.43) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21290387 | 0.71 | IDO1 (0.46) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL23956198 | 0.70 | ALOX5AP (0.37) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21290393 | 0.70 | ERN1 (0.46) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL23956216 | 0.70 | IDO1 (0.43) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21290358 | 0.69 | PDE4D (0.42) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 |
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-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |