Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL16872526 | 0.91 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL29494151 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL28385797 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL4849522 | 0.80 | PNMT (0.52) | ALDH1A1PNMTHPGDHTR7HTR2B | |
| SCHEMBL3082712 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL22645278 | 0.78 | CA1 (0.39) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL827870 | 0.78 | PNMT (0.40) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL5053754 | 0.76 | PNMT (0.44) | ALDH1A1TSHRHSD17B10MAPK1ATM | |
| SCHEMBL31199126 | 0.76 | HPRT1 (0.50) | ALDH1A1TSHRHSD17B10MAPK1PNMT | |
| SCHEMBL2486633 | 0.76 | HPRT1 (0.50) | ALDH1A1TSHRHSD17B10MAPK1PNMT |
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-117825343-A | Method for simultaneously and quantitatively detecting four polycyclic aromatic hydrocarbons by taking non-carcinogen pyrene as standard | 厦门大学 | 2024-04-05 | — | — | CN | disclosed |