Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21300575 | 0.80 | CHRM2 (0.33) | — | |
| SCHEMBL21295823 | 0.77 | CYP2A6 (0.42) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL21295780 | 0.76 | NUDT1 (0.43) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL21295784 | 0.74 | ALDH1A1 (0.42) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL21297628 | 0.71 | ALDH1A1 (0.42) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL28575310 | 0.70 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL21295641 | 0.69 | CYP11B1 (0.42) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL24318703 | 0.68 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL21295725 | 0.68 | ALDH1A1 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2TDO2 | |
| SCHEMBL21295856 | 0.67 | CYP2A6 (0.41) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP2C9 |
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-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 |
| CN-112912372-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 | 2021-06-04 | — | — | CN | disclosed |