Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 6/20 | 0.38 |
| ▸ | MMP7 | P09237 | 3/20 | 0.38 |
| ▸ | MMP12 | P39900 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | MMP3 | P08254 | 3/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Butylbenzyl SCHEMBL28023730 | 0.88 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19CTSK | |
| Isobutylbenzene SCHEMBL28023629 | 0.84 | MMP1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19MMP1 | |
| Butylbenzyl SCHEMBL28023624 | 0.82 | CNR2 (0.44) | ALDH1A1CTSKCNR2CA2SMN1; SMN2 | |
| Butylbenzyl SCHEMBL28023013 | 0.79 | MMP1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19CTSK | |
| Butylbenzyl SCHEMBL28023025 | 0.77 | CNR2 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19CTSK | |
| SCHEMBL2445638 | 0.75 | MMP13 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19CNR2 | |
| Butylbenzyl SCHEMBL27800284 | 0.74 | SIGMAR1 (0.47) | ALDH1A1CTSKCNR2POLB | |
| Butyl Formate SCHEMBL27968945 | 0.73 | KCNH2 (0.51) | ALDH1A1CTSK | |
| SCHEMBL21498156 | 0.72 | MMP13 (0.48) | ALDH1A1MMP1MMP7MMP12MMP13 | |
| SCHEMBL12370397 | 0.72 | SMN1; SMN2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19MMP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103509135-B | Olefin polymerization catalyst component, preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2015-07-22 | — | — | CN | disclosed |