Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5684867 | 1.00 | ESR1 (0.41) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL27754626 | 0.86 | ESR1 (0.51) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL2560818 | 0.86 | ESR1 (0.51) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL3389968 | 0.81 | ESR1 (0.42) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL28671877 | 0.79 | ESR1 (0.41) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL28671879 | 0.79 | ESR1 (0.41) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL9906158 | 0.79 | ESR1 (0.41) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL4651712 | 0.78 | ESR1 (0.41) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL11893298 | 0.77 | ESR1 (0.39) | ESR1CHRM3RIPK1CYP2D6CYP2C9 | |
| SCHEMBL6682429 | 0.76 | ESR1 (0.40) | ESR1CHRM3RIPK1CYP2D6CYP2C9 |
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-107488163-A | The preparation method of (2 thienyl) 1 propyl alcohol of one kind (S) 3 N, N disubstituted amidos 1 | 天台宜生生化科技有限公司 | 2017-12-19 | — | — | CN | claimed |
| CN-109485634-A | A kind of preparation method of S- (+) duloxetine hydrochloride intermediate | 成都倍特药业有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-107488163-A | The preparation method of (2 thienyl) 1 propyl alcohol of one kind (S) 3 N, N disubstituted amidos 1 | 天台宜生生化科技有限公司 | 2017-12-19 | — | — | CN | disclosed |