Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.48 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22939694 | 0.89 | NPC1 (0.47) | NPC1RAB9AADORA3KDM4EPLA2G2A | |
| SCHEMBL25002937 | 0.86 | NPC1 (0.55) | NPC1RAB9AADORA3KDM4EPLA2G2A | |
| SCHEMBL16724449 | 0.85 | P2RY12 (0.51) | NPC1RAB9AADORA3KDM4EPLA2G2A | |
| SCHEMBL25002920 | 0.83 | NPC1 (0.52) | NPC1RAB9AADORA3KDM4EPLA2G2A | |
| SCHEMBL25002893 | 0.81 | NPC1 (0.55) | NPC1RAB9AADORA3KDM4EMAPT | |
| SCHEMBL22939865 | 0.81 | PLA2G2A (0.53) | PLA2G2AMAPTSMN1; SMN2ALPL | |
| SCHEMBL3134572 | 0.81 | PLA2G2A (0.57) | NPC1RAB9AKDM4EPLA2G2AALDH1A1 | |
| SCHEMBL24994319 | 0.80 | SCN10A (0.64) | NPC1RAB9AADORA3KDM4EMAPT | |
| SCHEMBL11157943 | 0.80 | ACHE (0.47) | NPC1RAB9AADORA3KDM4EPLA2G2A | |
| SCHEMBL11154369 | 0.79 | KMT2A (0.57) | ADORA3KDM4EMAPTALDH1A1HPGD |
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-2021019051-A1 | INHIBITORS OF HUMAN ATGL | Karl-Franzens-Universität Graz (AT) | 2021-02-04 | — | — | WO | disclosed |