Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154086 | 0.81 | CYP3A4 (0.36) | TDP1 | |
| SCHEMBL29534836 | 0.81 | CYP3A4 (0.36) | TDP1 | |
| SCHEMBL8068834 | 0.79 | CES2 (0.32) | TDP1 | |
| SCHEMBL1768566 | 0.76 | CYP3A4 (0.39) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL15530040 | 0.75 | AR (0.32) | ELANECYP1A2 | |
| SCHEMBL30788459 | 0.75 | TOP1 (0.40) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL8033180 | 0.73 | TDP1 (0.45) | TDP1 | |
| SCHEMBL19009979 | 0.71 | CYP3A4 (0.46) | PDK2TDP1TTR | |
| SCHEMBL2154282 | 0.67 | ACHE (0.38) | — | |
| SCHEMBL30426297 | 0.67 | ACHE (0.38) | — |
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-117510686-A | Method for preparing morphology-controllable ultra-high molecular weight polyethylene by in-situ polymerization | 合肥中科科乐新材料有限责任公司 | 2024-02-06 | — | — | CN | disclosed |