Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13766185 | 0.80 | TRPA1 (0.52) | TAAR1TRPA1CAPN1CYP2D6 | |
| SCHEMBL4875648 | 0.80 | TRPA1 (0.52) | TAAR1TRPA1CAPN1CYP2D6 | |
| SCHEMBL10736401 | 0.77 | TSHR (0.46) | TSHRTAAR1TRPA1ALDH1A1LMNA | |
| SCHEMBL9425022 | 0.76 | TSHR (0.55) | TSHRTAAR1TRPA1LMNAHRH1 | |
| SCHEMBL9864831 | 0.74 | TSHR (0.42) | TSHRTAAR1TRPA1LMNACACNA1F | |
| SCHEMBL8371057 | 0.74 | LMNA (0.45) | TSHRTAAR1TRPA1ALDH1A1LMNA | |
| SCHEMBL21753497 | 0.72 | TSHR (0.50) | TSHRTAAR1CACNA1FCHRM2CHRM1 | |
| SCHEMBL28215581 | 0.72 | GABBR2 (0.42) | TSHRLMNACAPN1CYP2D6KMT2A | |
| SCHEMBL6929616 | 0.71 | TSHR (0.44) | TSHRTAAR1ALDH1A1LMNACYP2D6 | |
| SCHEMBL17685575 | 0.71 | TAAR1 (0.48) | TSHRTAAR1TRPA1ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109897872-A | Enzyme process prepares (2S, 3S)-N- tertbutyloxycarbonyl -3- amino -1- chlorine-2-hydroxyl -4- phenyl butane | 湖州颐辉生物科技有限公司 | 2019-06-18 | — | — | CN | claimed |
| CN-109897872-A | Enzyme process prepares (2S, 3S)-N- tertbutyloxycarbonyl -3- amino -1- chlorine-2-hydroxyl -4- phenyl butane | 湖州颐辉生物科技有限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-109897872-A | Enzyme process prepares (2S, 3S)-N- tertbutyloxycarbonyl -3- amino -1- chlorine-2-hydroxyl -4- phenyl butane | 湖州颐辉生物科技有限公司 | 2019-06-18 | — | — | CN | disclosed |