Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 2/20 | 0.52 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5616774 | 0.80 | LCK (0.54) | LCKCCNB2CDK1CDK4CCNB1 | |
| SCHEMBL28099212 | 0.80 | LCK (0.54) | LCKCCNB2CDK1CDK4CCNB1 | |
| SCHEMBL27792900 | 0.79 | LCK (0.59) | LCKCCNB2CDK1CDK4CCNB1 | |
| SCHEMBL5644855 | 0.77 | LCK (0.50) | LCKCCNB2CDK1CDK4CCNB1 | |
| SCHEMBL8671070 | 0.75 | SMN1; SMN2 (0.50) | LCKCCNB2CDK1CDK4CCNB1 | |
| 3-Hydroxybenzaldehyde SCHEMBL29085774 | 0.75 | CCNB2 (0.63) | LCKCCNB2CDK1CDK4CCNB1 | |
| 3-Hydroxybenzaldehyde SCHEMBL29381261 | 0.75 | — | — | |
| 3-Hydroxybenzaldehyde SCHEMBL35726 | 0.75 | — | — | |
| SCHEMBL28041988 | 0.74 | TP53 (0.34) | ALDH1A1 | |
| SCHEMBL2512334 | 0.74 | LCK (0.86) | LCKCCNB2CDK1CDK4CCNB1 |
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-109576313-A | A method of preparing the chloro- 1-(3- hydroxy phenyl of (S) -2-) ethyl alcohol | 尚科生物医药（上海）有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-109576312-A | A method of preparing the chloro- 1-(3- hydroxy phenyl of (R) -2-) ethyl alcohol | 尚科生物医药（上海）有限公司 | 2019-04-05 | — | — | CN | claimed |