Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL9584316 | 0.95 | CYP2C19 (0.39) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL14730791 | 0.86 | CYP2C19 (0.39) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL28545860 | 0.80 | CYP2C19 (0.38) | CYP2C19CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| SCHEMBL14730789 | 0.80 | ATM (0.39) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL7053478 | 0.77 | CYP2C19 (0.43) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL4812312 | 0.77 | CYP2C19 (0.43) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL28255942 | 0.76 | CYP2C19 (0.45) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL4152272 | 0.76 | CYP2C19 (0.42) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL4812087 | 0.76 | CYP2C19 (0.42) | CYP2C19CYP3A4MEN1KMT2APOLB | |
| SCHEMBL156753 | 0.76 | POLB (0.46) | MEN1KMT2APOLBALDH1A1SMN1; SMN2 |
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 |