Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.33 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544353 | 0.80 | CYP2C19 (0.42) | CYP2C19TSHRCYP3A4MAPTCYP2C9 | |
| SCHEMBL28544843 | 0.78 | CYP2C9 (0.34) | CYP2C19TSHRCYP3A4MAPTCYP2C9 | |
| SCHEMBL1009636 | 0.76 | CYP2C19 (0.40) | CYP2C19NPSR1TSHRCYP3A4MAPT | |
| SCHEMBL11164787 | 0.75 | — | — | |
| SCHEMBL9584316 | 0.75 | CYP2C19 (0.39) | CYP2C19TSHRCYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL10046851 | 0.74 | EED (0.42) | CYP2C19NPSR1TSHRCYP3A4MAPT | |
| SCHEMBL5352623 | 0.74 | EED (0.42) | CYP2C19NPSR1TSHRCYP3A4MAPT | |
| SCHEMBL12083378 | 0.74 | CYP2C19 (0.39) | CYP2C19NPSR1TSHRCYP3A4MAPT | |
| SCHEMBL3670181 | 0.73 | CYP2C19 (0.41) | CYP2C19NPSR1TSHRCYP3A4MAPT | |
| SCHEMBL9583303 | 0.73 | TSHR (0.39) | CYP2C19NPSR1TSHRCYP3A4MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574141-B | Synthesis method of beta-chloro alpha, gamma-dicarbonyl compound | 河北威远生物化工有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-112574141-A | Synthesis method of beta-chloro alpha, gamma-dicarbonyl compound | 河北威远生物化工有限公司 | 2021-03-30 | — | — | CN | disclosed |