Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28420912 | 0.92 | HDAC8 (0.42) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL26813563 | 0.86 | AKR1C3 (0.41) | ALDH1A1HSD17B10HPGDCYP1A2PPARG | |
| SCHEMBL29952492 | 0.86 | AKR1C3 (0.41) | ALDH1A1HSD17B10HPGDCYP1A2PPARG | |
| SCHEMBL28423156 | 0.84 | CYP1A2 (0.45) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL3786972 | 0.84 | HSD17B10 (0.58) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL3792057 | 0.84 | HSD17B10 (0.58) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL30744773 | 0.84 | HSD17B10 (0.58) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL21368216 | 0.84 | DNMT1 (0.38) | ALDH1A1HSD17B10HPGDCYP1A2PPARG | |
| SCHEMBL3859752 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL31544308 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HPGDCYP1A2THRB |
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 |