Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | CHRNE | Q04844 | 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 | |
|---|---|---|---|---|
| SCHEMBL14492832 | 0.81 | CYP19A1 (0.59) | CYP19A1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL14492829 | 0.79 | CYP19A1 (0.61) | CYP19A1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL30616063 | 0.76 | CHRNE (0.63) | CYP19A1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL29093705 | 0.76 | ALDH1A1 (0.62) | CYP19A1CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL29093697 | 0.76 | CYP19A1 (0.53) | CYP19A1CYP1A2CYP2C19ALDH1A1HTT | |
| SCHEMBL29093444 | 0.76 | CHRNE (0.63) | CYP19A1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL19652294 | 0.76 | CYP19A1 (0.53) | CYP19A1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL30616060 | 0.76 | ALDH1A1 (0.62) | CYP19A1CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL30616072 | 0.76 | CYP19A1 (0.53) | CYP19A1CYP1A2CYP2C19ALDH1A1HTT | |
| SCHEMBL25467721 | 0.74 | CYP19A1 (0.52) | CYP19A1CYP1A2CYP2C19KDM4EALDH1A1 |
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-2012121561-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2012-09-13 | — | — | WO | disclosed |