Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | LIG1 | P18858 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25235281 | 0.85 | ERN1 (0.39) | ALDH1A1KDM4ETSHRGAAHPGD | |
| SCHEMBL28607462 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRTDP1GAA | |
| SCHEMBL28691830 | 0.81 | TSHR (0.43) | ALDH1A1KDM4ETSHRGAAHPGD | |
| SCHEMBL23748136 | 0.80 | HTR2C (0.45) | ALDH1A1KDM4ETSHRTDP1GAA | |
| SCHEMBL4386202 | 0.79 | KDM4E (0.43) | ALDH1A1KDM4ETSHRTDP1GAA | |
| SCHEMBL25700193 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4ETSHRTDP1GAA | |
| SCHEMBL4998983 | 0.79 | PTPN1 (0.48) | ALDH1A1KDM4ETSHRTDP1GAA | |
| SCHEMBL3694739 | 0.78 | ERN1 (0.41) | ALDH1A1KDM4ETSHRGAAHPGD | |
| SCHEMBL295954 | 0.78 | ERN1 (0.44) | ALDH1A1KDM4ETSHRGAAHPGD | |
| SCHEMBL25274303 | 0.78 | CD274 (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 |
|---|---|---|---|---|---|---|---|
| WO-2023104744-A1 | 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF | HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) | 2023-06-15 | — | — | WO | disclosed |