Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.67 |
| ▸ | TSHR | P16473 | 6/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.67 |
| ▸ | ATM | Q13315 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 6/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.62 |
| ▸ | CASP1 | P29466 | 3/20 | 0.57 |
| ▸ | CASP7 | P55210 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30632273 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL961312 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL5047563 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL29762006 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL28818195 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL27626211 | 0.83 | ALDH1A1 (0.81) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL24245725 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| Pyrene SCHEMBL5677014 | 0.81 | ALDH1A1 (0.88) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| SCHEMBL4850164 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 | |
| Fluoranthene SCHEMBL8873541 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRMAPK1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117630245-A | Detection method of aromatic hydrocarbon mineral oil with more than 3 rings | 北京市科学技术研究院分析测试研究所(北京市理化分析测试中心) | 2024-03-01 | — | — | CN | claimed |
| CN-117630245-A | Detection method of aromatic hydrocarbon mineral oil with more than 3 rings | 北京市科学技术研究院分析测试研究所(北京市理化分析测试中心) | 2024-03-01 | — | — | CN | disclosed |