Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | PTPRC | P08575 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31538678 | 1.00 | CYP2A6 (0.54) | CYP2A6DPP4PTPRCCTSLCTSS | |
| SCHEMBL23636188 | 0.85 | CYP2A6 (0.59) | CYP2A6DPP4PTPRCCTSLCTSS | |
| SCHEMBL20821396 | 0.84 | DPP4 (0.65) | CYP2A6DPP4PTPRCCTSLCTSS | |
| SCHEMBL2975854 | 0.84 | CNR2 (0.46) | CYP2A6DPP4PTGS1PTGS2ALDH1A1 | |
| SCHEMBL31223211 | 0.82 | CNR2 (0.45) | CYP2A6DPP4PTGS1PTGS2ALDH1A1 | |
| SCHEMBL12854077 | 0.80 | PTPRC (0.53) | PTPRCCTSLCTSSPTPN13PTGS1 | |
| SCHEMBL12854065 | 0.79 | PTPRC (0.55) | CYP2A6PTPRCCTSLCTSSPTPN13 | |
| SCHEMBL12854121 | 0.79 | PTPRC (0.57) | PTPRCCTSLCTSSPTPN13PTGS1 | |
| SCHEMBL12854073 | 0.79 | PTPRC (0.55) | CYP2A6PTPRCCTSLCTSSPTPN13 | |
| SCHEMBL7647031 | 0.79 | PTGS2 (0.58) | CYP2A6PTPRCCTSLCTSSPTPN13 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114096528-A | Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element | 东曹株式会社 | 2022-02-25 | — | — | CN | disclosed |
| WO-2021020285-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2021-02-04 | — | — | WO | disclosed |