Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25622548 | 0.89 | HSD17B1 (0.43) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL13505946 | 0.88 | HPRT1 (0.58) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL598398 | 0.88 | HSD17B1 (0.59) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL3005121 | 0.88 | ESR1 (0.56) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL26054911 | 0.86 | CA12 (0.48) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL2724557 | 0.85 | ESR1 (0.58) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL30703158 | 0.85 | ESR1 (0.58) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL1987912 | 0.85 | ESR1 (0.58) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL26047231 | 0.85 | CA12 (0.47) | HSD17B1HSD17B2CA12CA1CA2 | |
| SCHEMBL26550598 | 0.85 | CA12 (0.59) | HSD17B1HSD17B2CA12CA1CA2 |
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-116348454-A | Triazine compound, material for organic electroluminescent element, electron-transporting material for organic electroluminescent element, and organic electroluminescent element | 东曹株式会社 | 2023-06-27 | — | — | CN | disclosed |