Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21295724 | 0.82 | DYRK1A (0.41) | ALDH1A1NPC1RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL21295775 | 0.80 | HTR1A (0.34) | ALDH1A1CYP1A2TSHRTP53HSD17B10 | |
| SCHEMBL21295856 | 0.77 | CYP2A6 (0.41) | ALDH1A1CYP2A6CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL6613858 | 0.74 | CYP11B1 (0.50) | ALDH1A1CYP2A6CYP3A4CYP1A2NPC1 | |
| SCHEMBL21295964 | 0.72 | TP53 (0.40) | ALDH1A1CYP2A6CYP1A2NPC1RAB9A | |
| SCHEMBL21296168 | 0.71 | CYP2A6 (0.45) | ALDH1A1CYP2A6CYP3A4CYP1A2NPC1 | |
| SCHEMBL21295725 | 0.69 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL21297628 | 0.69 | ALDH1A1 (0.42) | ALDH1A1CYP2A6CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL23071560 | 0.68 | CYP2A6 (0.50) | ALDH1A1CYP2A6CYP3A4CYP1A2SMN1; SMN2 | |
| SCHEMBL21295780 | 0.68 | NUDT1 (0.43) | ALDH1A1CYP2A6CYP3A4CYP1A2SMN1; SMN2 |
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 4 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 |
| WO-2020085319-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2019163959-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2019-08-29 | — | — | WO | disclosed |