Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.34 |
| ▸ | RAB9A | P51151 | 6/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16158656 | 0.94 | NPC1 (0.43) | BACE1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL16158693 | 0.91 | BACE1 (0.38) | BACE1ENPP3ADORA3NPC1RAB9A | |
| SCHEMBL16158657 | 0.89 | NPC1 (0.41) | BACE1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL16158681 | 0.88 | MEN1 (0.44) | BACE1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL16158680 | 0.83 | BACE1 (0.40) | BACE1CA12CA9ENPP3ENPP1 | |
| SCHEMBL16158689 | 0.82 | MEN1 (0.41) | BACE1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL16158802 | 0.82 | MEN1 (0.49) | BACE1ADORA3KDM4EALDH1A1HPGD | |
| SCHEMBL16158691 | 0.82 | MEN1 (0.49) | BACE1ADORA3KDM4EALDH1A1HPGD | |
| SCHEMBL16158736 | 0.81 | BACE1 (0.39) | BACE1CA12CA9ENPP3ENPP1 | |
| SCHEMBL27255495 | 0.81 | MEN1 (0.41) | BACE1NPC1RAB9AKDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2873666-B1 | HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME | LG CHEMICAL LTD (KR) | 2017-09-20 | — | — | EP | disclosed |
| US-9412954-B2 | Heterocyclic compound and organic electronic element containing same | LG CHEM, LTD. (KR) | 2016-08-09 | — | — | US | disclosed |
| US-9412954-B2 | Heterocyclic compound and organic electronic element containing same | LG CHEM, LTD. (KR) | 2016-08-09 | — | — | US | disclosed |
| US-20140299192-A1 | HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME | LG CHEM, LTD. (KR) | 2014-10-09 | — | — | US | disclosed |
| US-20140299192-A1 | HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME | LG CHEM, LTD. (KR) | 2014-10-09 | — | — | US | disclosed |