Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668935 | 0.84 | CYP2A6 (0.45) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL23206124 | 0.81 | CYP2A6 (0.42) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL8845566 | 0.81 | PTPN22 (0.42) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL632553 | 0.78 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL30413091 | 0.78 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL29629107 | 0.76 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL1039782 | 0.76 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL3822591 | 0.76 | CYP2A6 (0.50) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| SCHEMBL3237272 | 0.75 | ALDH1A1 (0.55) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 | |
| Anthracene SCHEMBL28833550 | 0.75 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10TSHRCYP3A4 |
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-2021020799-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2021-02-04 | — | — | WO | disclosed |
| WO-2021020799-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2021-02-04 | — | — | WO | disclosed |