Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7504135 | 0.88 | ALDH1A1 (0.39) | ALDH1A1HTTHRH3CNR2MAPT | |
| SCHEMBL28465551 | 0.81 | CNR2 (0.35) | ALDH1A1HTTHRH3CNR2MAPT | |
| SCHEMBL8626816 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HTTHRH3CNR2MAPT | |
| SCHEMBL6959879 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HTTHRH3CNR2MAPT | |
| SCHEMBL8625977 | 0.79 | KDM4E (0.40) | ALDH1A1HTTHRH3MAPTTHRB | |
| SCHEMBL14580525 | 0.78 | ALDH1A1 (0.34) | ALDH1A1HTTHRH3CYP2D6OPRD1 | |
| SCHEMBL7776405 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL3804896 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL14580526 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL9283481 | 0.71 | — | — |
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-106432122-A | Preparation method of 3-(2-chloro-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one as meropenem intermediate | 新乡海滨药业有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106432122-A | Preparation method of 3-(2-chloro-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one as meropenem intermediate | 新乡海滨药业有限公司 | 2017-02-22 | — | — | CN | disclosed |