Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 3/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.30 |
| ▸ | TACR2 | P21452 | 2/20 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL6477677 | 0.88 | ALDH1A1 (0.40) | GABRA1GABRB2CNR1CNR2ALDH1A1 | |
| Propane SCHEMBL28347132 | 0.84 | GABRA1 (0.41) | GABRA1GABRB2CNR1CNR2ALDH1A1 | |
| Ethylamine SCHEMBL3649525 | 0.79 | GABRA1 (0.38) | GABRA1GABRB2CNR1CNR2ALDH1A1 | |
| Hydroquinone SCHEMBL27754506 | 0.75 | LMNA (0.53) | ALDH1A1SMN1; SMN2ESR1ESR2CA2 | |
| Hydrogen Sulfide SCHEMBL28630719 | 0.73 | — | — | |
| Methane SCHEMBL28377284 | 0.73 | — | — | |
| Propanol SCHEMBL2803733 | 0.71 | TP53 (0.41) | ALDH1A1SMN1; SMN2ESR1ESR2LMNA | |
| Propanol SCHEMBL8328980 | 0.69 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Propanol SCHEMBL1133211 | 0.69 | — | — | |
| Propanol SCHEMBL15524986 | 0.69 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 |
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-115704004-A | Method for synthesizing phenylpropanol derivative by using immobilized enzyme | 杭州唯铂莱生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |