Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | CTRC | Q99895 | 2/20 | 0.40 |
| ▸ | PRKDC | P78527 | 3/20 | 0.38 |
| ▸ | TTR | P02766 | 3/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL25551113 | 0.92 | AHR (0.47) | CYP2A6AHRCTRCPRKDCTTR | |
| SCHEMBL25551098 | 0.86 | CYP2A6 (0.41) | CYP2A6AHRCTRCPRKDCTYMS | |
| SCHEMBL25568102 | 0.84 | AHR (0.51) | CYP2A6AHRCTRCPRKDCTTR | |
| SCHEMBL22763998 | 0.84 | AHR (0.54) | CYP2A6AHRCTRCTTRNPC1 | |
| SCHEMBL22019947 | 0.82 | CYP2A6 (0.52) | CYP2A6AHRCTRCPRKDCTTR | |
| SCHEMBL25568029 | 0.81 | AHR (0.47) | CYP2A6AHRCTRCPRKDCNPC1 | |
| SCHEMBL26254534 | 0.81 | AHR (0.51) | CYP2A6AHRCTRCTTRNPC1 | |
| SCHEMBL31393384 | 0.80 | AHR (0.50) | CYP2A6AHRCTRCPRKDCTTR | |
| SCHEMBL24518923 | 0.79 | AHR (0.53) | CYP2A6AHRCTRCPRKDCTTR | |
| SCHEMBL24225405 | 0.79 | CTRC (0.38) | CYP2A6AHRCTRCPRKDCTTR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023096209-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2023-06-01 | — | — | WO | disclosed |