Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | ERN1 | O75460 | 4/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5848721 | 0.85 | CYP2A6 (0.52) | CYP2A6ERN1CYP17A1CYP1A2MAPT | |
| SCHEMBL23555986 | 0.85 | ERN1 (0.54) | CYP2A6ERN1MAPTSMN1; SMN2CHRM2 | |
| SCHEMBL31092063 | 0.85 | CYP2A6 (0.52) | CYP2A6ERN1CYP17A1CYP1A2MAPT | |
| SCHEMBL21295825 | 0.82 | CYP11B1 (0.51) | CYP2A6ERN1CYP1A2CYP11B1NPC1 | |
| SCHEMBL5766614 | 0.82 | ERN1 (0.51) | CYP2A6ERN1CYP17A1CYP1A2NPC1 | |
| SCHEMBL4381193 | 0.80 | CYP2A6 (0.54) | CYP2A6ERN1MAPTCHRM2CHRM4 | |
| SCHEMBL1772093 | 0.78 | ERN1 (0.49) | CYP2A6ERN1MAPK1NPC1MAPT | |
| SCHEMBL9565764 | 0.78 | ERN1 (0.49) | CYP2A6ERN1CYP1A2MAPTSMN1; SMN2 | |
| SCHEMBL10324568 | 0.78 | CYP2A6 (0.46) | CYP2A6ERN1MAPTSMN1; SMN2CHRM2 | |
| SCHEMBL7384280 | 0.78 | MAOB (0.52) | CYP2A6ERN1NPC1RAB9AMAPT |
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-2020085319-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2019163959-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2019-08-29 | — | — | WO | disclosed |