Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17655539 | 0.86 | ESR1 (0.55) | CYP3A4ALDH1A1CA2S1PR4CA12 | |
| SCHEMBL13034135 | 0.85 | CYP3A4 (0.56) | CYP3A4ALDH1A1CA2IDH1KDM4E | |
| SCHEMBL7092605 | 0.85 | CYP3A4 (0.56) | CYP3A4ALDH1A1CA2KDM4EHSD17B10 | |
| SCHEMBL334275 | 0.83 | APP (0.51) | ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL18719614 | 0.81 | KDM4E (0.42) | CYP3A4ALDH1A1CYP4F2CYP4A11KDM4E | |
| SCHEMBL19270356 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL28088456 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL27721894 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2IDH1MEN1 | |
| SCHEMBL13034159 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2KDM4ETSHR | |
| SCHEMBL18719618 | 0.79 | ALDH1A1 (0.52) | CYP3A4ALDH1A1CA2IDH1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016050209-A1 | HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE | 厦门赛诺邦格生物科技有限公司 | 2016-04-07 | — | — | WO | disclosed |
| WO-1999067209-A1 | HYDROXIMIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR | HOECHST SCHERING AGREVO GMBH (DE) | 1999-12-29 | — | — | WO | disclosed |