Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 8/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6052309 | 0.90 | ALDH1A1 (0.63) | ALDH1A1GAAKDM4EUSP2XDH | |
| Hydrochloric Acid SCHEMBL7861742 | 0.89 | ALDH1A1 (0.66) | ALDH1A1GAAKDM4EUSP2XDH | |
| SCHEMBL1940230 | 0.81 | KDM4E (0.56) | ALDH1A1GAAKDM4EUSP2XDH | |
| SCHEMBL17977469 | 0.81 | FFAR1 (0.48) | XDHSLC22A12 | |
| SCHEMBL9570228 | 0.79 | ALDH1A1 (0.96) | ALDH1A1GAAKDM4EUSP2XDH | |
| SCHEMBL14439977 | 0.79 | KDM4E (0.57) | ALDH1A1GAAKDM4EUSP2XDH | |
| SCHEMBL2532442 | 0.78 | XDH (0.44) | XDHSLC22A12 | |
| SCHEMBL362552 | 0.78 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4EUSP2 | |
| SCHEMBL6431488 | 0.77 | KDM4E (0.56) | ALDH1A1GAAKDM4EUSP2 | |
| SCHEMBL31573 | 0.77 | XDH (0.69) | XDHSLC22A12AAK1 |
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-2016131381-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) | 2016-08-25 | — | — | WO | disclosed |