Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21581622 | 0.89 | GRM5 (0.40) | NPC1RAB9ASCN9AKDM4ENPSR1 | |
| SCHEMBL21581608 | 0.88 | NPC1 (0.42) | NPC1RAB9ASCN9AKDM4ENPSR1 | |
| SCHEMBL21581620 | 0.87 | LMNA (0.41) | NPC1RAB9ASCN9AKDM4ENPSR1 | |
| SCHEMBL21581681 | 0.83 | NPC1 (0.40) | NPC1RAB9ASCN9AADORA3AURKB | |
| SCHEMBL21581600 | 0.79 | SCN9A (0.55) | NPC1RAB9ASCN9AKDM4EADORA3 | |
| SCHEMBL21581551 | 0.79 | SCN9A (0.41) | NPC1RAB9ASCN9AKDM4EADORA3 | |
| SCHEMBL21581604 | 0.79 | NPC1 (0.61) | NPC1RAB9AKDM4EADORA3GBA1 | |
| SCHEMBL30315832 | 0.78 | AURKB (0.46) | NPC1RAB9ASCN9AAURKBEGFR | |
| SCHEMBL22306005 | 0.78 | AURKB (0.46) | NPC1RAB9ASCN9AAURKBEGFR | |
| SCHEMBL15145793 | 0.77 | L3MBTL1 (0.55) | NPC1RAB9AKDM4EMAPTSMN1; 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-2019222816-A1 | SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF | BIONOMICS LIMITED (AU) | 2019-11-28 | — | — | WO | disclosed |