Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26185692 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL2441988 | 0.95 | CYP3A4 (0.58) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL29596268 | 0.93 | TDP1 (0.62) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL5293932 | 0.93 | TDP1 (0.62) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL8605466 | 0.93 | TDP1 (0.62) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL18850247 | 0.91 | CYP3A4 (0.75) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL8563717 | 0.89 | ALDH1A1 (0.48) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL29320825 | 0.88 | KDM4E (0.57) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL9821741 | 0.85 | ALDH1A1 (0.73) | ALDH1A1CYP3A4KDM4ETDP1MAPT | |
| SCHEMBL15481639 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP3A4KDM4ETDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022054552-A1 | POLYMETALLOXANE-CONTAINING COMPOSITION, CURED BODY, MEMBER, ELECTRONIC COMPONENT, AND FIBER | 東レ株式会社 | 2022-03-17 | — | — | WO | disclosed |