Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28275480 | 0.86 | ALDH1A1 (0.35) | ALDH1A1PRNPCNR2HPGDCYP1A2 | |
| SCHEMBL27709368 | 0.79 | ALDH1A1 (0.41) | ALDH1A1PRNPCNR2HPGDCYP1A2 | |
| SCHEMBL28275472 | 0.76 | TP53 (0.41) | ALDH1A1HPGDCYP1A2HTTHSD17B10 | |
| SCHEMBL28222300 | 0.73 | TLR8 (0.42) | ALDH1A1CNR2HPGDHSD17B10CNR1 | |
| SCHEMBL311307 | 0.73 | ALDH1A1 (0.50) | ALDH1A1PRNPHPGDCYP1A2THRB | |
| SCHEMBL21764658 | 0.73 | ALDH1A1 (0.50) | ALDH1A1PRNPHPGDCYP1A2THRB | |
| SCHEMBL31130596 | 0.73 | ALDH1A1 (0.50) | ALDH1A1PRNPHPGDCYP1A2THRB | |
| SCHEMBL19729080 | 0.72 | CYP3A4 (0.52) | ALDH1A1PRNPCNR2HPGDCYP1A2 | |
| SCHEMBL28586649 | 0.71 | RXFP1 (0.43) | ALDH1A1PRNPCYP1A2HTTKDM4E | |
| SCHEMBL2906916 | 0.71 | ALDH1A1 (0.46) | ALDH1A1PRNPHPGDCYP1A2THRB |
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-109400438-A | One kind 9,10- bis- replaces the synthetic method of luxuriant and rich with fragrance class compound | 西北大学 | 2019-03-01 | — | — | CN | disclosed |