Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10361965 | 0.78 | ESR1 (0.55) | ALDH1A1ADRB1ADRB3CA12CA1 | |
| SCHEMBL528212 | 0.77 | CA1 (0.63) | ALDH1A1ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL7930050 | 0.76 | KDM4E (0.38) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6920338 | 0.76 | MEN1 (0.44) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL25218257 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CYP2A6ALDH3A1ALDH1A3ADRB2 | |
| SCHEMBL9939035 | 0.75 | DGAT1 (0.49) | ALDH1A1CYP2A6ALDH3A1ALDH1A3ADRB2 | |
| Hydrochloric Acid SCHEMBL9939515 | 0.74 | DGAT1 (0.47) | ALDH1A1CYP2A6ALDH3A1ALDH1A3ADRB2 | |
| SCHEMBL29017437 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ALDH3A1ALDH1A3ADRB2 | |
| SCHEMBL1537537 | 0.72 | NPC1 (0.60) | ALDH1A1ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL10702293 | 0.72 | CA12 (0.58) | ALDH1A1ADRB2ADRB1ADRB3CA12 |
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-109912414-B | Preparation method and application of 4-formaldehyde oxime ethyl benzoate | 荆门医药工业技术研究院 | 2021-09-17 | — | — | CN | claimed |
| CN-109912414-B | Preparation method and application of 4-formaldehyde oxime ethyl benzoate | 荆门医药工业技术研究院 | 2021-09-17 | — | — | CN | disclosed |
| CN-109912414-B | Preparation method and application of 4-formaldehyde oxime ethyl benzoate | 荆门医药工业技术研究院 | 2021-09-17 | — | — | CN | disclosed |
| CN-109912414-B | Preparation method and application of 4-formaldehyde oxime ethyl benzoate | 荆门医药工业技术研究院 | 2021-09-17 | — | — | CN | disclosed |