Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | ARG1 | P05089 | 1/20 | 0.42 |
| ▸ | ARG2 | P78540 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28189016 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL11265928 | 0.87 | SMN1; SMN2 (0.58) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL6981342 | 0.87 | SMN1; SMN2 (0.58) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL28136599 | 0.87 | SMN1; SMN2 (0.58) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL7653149 | 0.86 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| Hydrochloric Acid SCHEMBL17262536 | 0.86 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL27962346 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL9462605 | 0.83 | SMN1; SMN2 (0.53) | SMN1; SMN2HIF1ACYP1A2CYP2D6TRPA1 | |
| SCHEMBL27737265 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ACYP1A2TRPA1SLC6A2 | |
| SCHEMBL1274883 | 0.80 | SMN1; SMN2 (0.58) | SMN1; SMN2HIF1ASLC6A2TAAR1BLM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109219592-A | Benzyl phenylate analog derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-01-15 | — | — | CN | claimed |
| CN-107417572-A | Benzyl phenylate analog derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-12-01 | — | — | CN | claimed |
| CN-109219592-A | Benzyl phenylate analog derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-01-15 | — | — | CN | disclosed |
| CN-107417572-A | Benzyl phenylate analog derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-12-01 | — | — | CN | disclosed |