Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL18848439 | 0.80 | NOS1 (0.38) | CYP1A2KDM4EGPR3NPC1EGFR | |
| SCHEMBL2633153 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL30666632 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL23674641 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL5546091 | 0.77 | PDE3B (0.41) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL28523265 | 0.77 | BACE1 (0.39) | CYP1A2KDM4EGPR3EGFR | |
| SCHEMBL18378968 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL15034693 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6PDE3BPDE3AKDM4E | |
| SCHEMBL17309719 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2A6PDE3BPDE3APSMB5 | |
| SCHEMBL5546096 | 0.77 | ALDH1A1 (0.41) | CYP1A2CYP2A6PDE3BPDE3APSMB5 |
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 |
|---|---|---|---|---|---|---|---|
| US-10312449-B2 | Organic light-emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-06-04 | — | — | US | disclosed |