Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28592108 | 0.86 | CYP2A6 (0.40) | CYP2A6EPHX2ABL1CNR2GRIA2 | |
| SCHEMBL28599537 | 0.82 | NPC1 (0.38) | CDK9DYRK1ADYRK2NPC1MAPT | |
| SCHEMBL28594945 | 0.82 | PRMT5 (0.40) | ABL1CDK9DYRK1ADYRK2NPC1 | |
| SCHEMBL28596710 | 0.81 | CYP2A6 (0.38) | CYP2A6EPHX2ABL1CNR2GRIA2 | |
| SCHEMBL29072333 | 0.78 | KDM4E (0.45) | CDK9DYRK1ADYRK2NPC1MAPT | |
| SCHEMBL1521697 | 0.78 | CYP2A6 (0.56) | CYP2A6CNR2GRIA2TRPV1SQOR | |
| SCHEMBL28603687 | 0.77 | NPC1 (0.38) | CYP2A6NPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL28590587 | 0.75 | DYRK1A (0.45) | DYRK1AMAPT | |
| SCHEMBL28586232 | 0.75 | PGR (0.47) | CYP2A6ABL1CDK9DYRK1AMAPT | |
| SCHEMBL22921153 | 0.75 | NPC1 (0.40) | CYP2A6EPHX2CNR2TRPV1CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311844-B | Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component | 东曹株式会社 | 2021-07-20 | — | — | CN | disclosed |