Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3607989 | 0.77 | RAB9A (0.58) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL2038123 | 0.75 | RAB9A (0.59) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL2274986 | 0.75 | NPC1 (0.76) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL3612868 | 0.74 | NPC1 (0.61) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL3603590 | 0.74 | RAB9A (0.57) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL3621006 | 0.74 | NPC1 (0.61) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL4929292 | 0.73 | NPC1 (0.73) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL1422883 | 0.72 | CHRNB2 (0.67) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL2038959 | 0.72 | RAB9A (0.55) | RAB9AKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL1422898 | 0.72 | CYP11B2 (0.70) | RAB9AKDM4EALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073299-A1 | PYRIDINYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2011-06-23 | — | — | WO | claimed |
| WO-2011073299-A1 | PYRIDINYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2011-06-23 | — | — | WO | disclosed |