Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | KCNQ2 | O43526 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | YWHAG | P61981 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6703828 | 0.79 | NPC1 (0.43) | NPC1PARP1HTR6CDC7CDK9 | |
| SCHEMBL3654065 | 0.78 | NPC1 (0.96) | NPC1KMT2AGAAKDM4EMAPT | |
| SCHEMBL31565663 | 0.78 | NPC1 (0.96) | NPC1KMT2AGAAKDM4EMAPT | |
| SCHEMBL11500068 | 0.78 | NPC1 (0.57) | NPC1KMT2AKDM4EMAPTGFER | |
| SCHEMBL14738628 | 0.78 | ALDH1A1 (0.52) | PKMMAPTHTTPLA2G10PLA2G2A | |
| SCHEMBL23632367 | 0.78 | NPC1 (0.50) | NPC1KMT2AKDM4EMAPTGFER | |
| SCHEMBL605593 | 0.77 | NPC1 (1.00) | NPC1KMT2AGAAPKMKDM4E | |
| SCHEMBL3083169 | 0.77 | NPC1 (1.00) | NPC1KMT2AGAAPKMKDM4E | |
| SCHEMBL11292302 | 0.77 | NPC1 (0.60) | NPC1KMT2AKDM4EMAPTGFER | |
| SCHEMBL28185881 | 0.76 | TSHR (0.50) | NPC1KMT2AGAAMEN1SMN1; 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-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 东莞市东阳光新药研发有限公司 | 2021-07-15 | — | — | WO | disclosed |