Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5956963 | 0.96 | CYP2A6 (0.44) | CYP2A6CYP1A2CYP1B1ALDH1A1SIGMAR1 | |
| SCHEMBL557550 | 0.93 | CYP2A6 (0.45) | CYP2A6CYP1A1CYP1B1SIGMAR1ESR1 | |
| SCHEMBL12476146 | 0.93 | ALDH1A1 (0.40) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL17970832 | 0.93 | SIGMAR1 (0.39) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL18069058 | 0.93 | SIGMAR1 (0.39) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL17471799 | 0.93 | SIGMAR1 (0.39) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL75616 | 0.93 | SIGMAR1 (0.39) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL29512089 | 0.93 | SIGMAR1 (0.39) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL14111970 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL14520007 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A1CYP1A2CYP1B1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11271175-B2 | Organic electronic element comprising compound for organic electronic element, and electronic device thereof | DUK SAN NEOLUX CO., LTD. (KR) | 2022-03-08 | — | — | US | disclosed |
| US-20200235314-A1 | ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2020-07-23 | — | — | US | disclosed |
| US-20160163994-A1 | ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2016-06-09 | — | — | US | disclosed |
| US-20160163994-A1 | ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2016-06-09 | — | — | US | disclosed |