Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28556594 | 0.94 | GRIN1 (0.33) | CYP2C9TSHRMAPT | |
| SCHEMBL11164787 | 0.80 | — | — | |
| SCHEMBL28545860 | 0.78 | CYP2C19 (0.38) | CYP2C9TSHRMAPTCYP3A4CYP2C19 | |
| SCHEMBL28544353 | 0.74 | CYP2C19 (0.42) | CYP2C9TSHRMAPTALDH1A1CYP3A4 | |
| SCHEMBL15658504 | 0.73 | CYP2C9 (0.36) | CYP2C9TSHRMAPTALDH1A1TDP1 | |
| SCHEMBL9099166 | 0.69 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL9584316 | 0.69 | CYP2C19 (0.39) | CYP2C9TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL15657995 | 0.68 | CYP2C9 (0.36) | CYP2C9TSHRMAPTALDH1A1TDP1 | |
| SCHEMBL15658781 | 0.67 | CRBN (0.33) | CYP2C9TSHRMAPT | |
| SCHEMBL9444636 | 0.67 | — | — |
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-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-113861006-A | Chlorination method of 1, 3-dicarbonyl compound | 北京工商大学 | 2021-12-31 | — | — | 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 |