Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24743383 | 0.92 | CYP2A6 (0.44) | CNR1HSD17B1HSD17B2CYP2A6ESR1 | |
| SCHEMBL30132955 | 0.92 | CYP2A6 (0.44) | CNR1HSD17B1HSD17B2CYP2A6ESR1 | |
| SCHEMBL26753540 | 0.79 | CYP1A2 (0.43) | CNR1CYP19A1PTPN1CYP17A1CYP3A4 | |
| SCHEMBL24329306 | 0.77 | CYP3A4 (0.42) | CNR1CYP2A6CYP19A1KDRCYP3A4 | |
| SCHEMBL24371758 | 0.77 | CYP2A6 (0.44) | HSD17B1HSD17B2CYP2A6ESR1ESR2 | |
| SCHEMBL23743354 | 0.76 | CYP2A6 (0.47) | CNR1HSD17B1HSD17B2CYP2A6ESR1 | |
| SCHEMBL440660 | 0.73 | HSD17B1 (0.39) | HSD17B1HSD17B2CYP2A6ESR1ESR2 | |
| SCHEMBL28862640 | 0.72 | CNR1 (0.40) | CNR1AKR1C2CYP19A1CYP3A4KCNH2 | |
| SCHEMBL24158366 | 0.72 | CYP19A1 (0.46) | CYP2A6CYP19A1CYP3A4PGRPDK2 | |
| SCHEMBL23743323 | 0.71 | FABP3 (0.48) | HSD17B1HSD17B2ESR1ESR2AKR1C3 |
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-20220131092-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-04-28 | — | — | US | disclosed |