Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5722124 | 0.83 | MEN1 (0.39) | ALDH1A1HPGDSOS1GPR84CA1 | |
| SCHEMBL556401 | 0.79 | HDAC4 (0.45) | CYP1A2DHFRGPR84CA1CA2 | |
| SCHEMBL243631 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL17711580 | 0.78 | CES1 (0.47) | ALDH1A1HSD17B10HIF1AHPGDCYP1A2 | |
| SCHEMBL28395769 | 0.78 | CA1 (0.43) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL28916630 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL27569161 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL28575411 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL27653425 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL29952492 | 0.74 | AKR1C3 (0.41) | ALDH1A1HSD17B10HPGDCYP1A2DHFR |
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-106554352-B | Polycyclic aromatic hydrocarbon derivative containing naphthyridine group and application thereof | 北京鼎材科技有限公司 | 2020-12-08 | — | — | CN | disclosed |