Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29038421 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HPGDTDP1PDE4D | |
| SCHEMBL30462838 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HPGDTDP1PDE4D | |
| SCHEMBL29038398 | 0.71 | ALDH1A1 (0.36) | TYRALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL5773063 | 0.69 | ALDH1A1 (0.43) | TYRALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL8948545 | 0.68 | PDE4D (0.33) | ALDH1A1HPGDPDE4DKDM4EMAPT | |
| SCHEMBL4454398 | 0.67 | ODC1 (0.50) | ALDH1A1PDE4DKDM4E | |
| SCHEMBL31254058 | 0.67 | PTPN1 (0.52) | TYRALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL27810630 | 0.67 | PTPN1 (0.52) | TYRALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL5365370 | 0.67 | PPARD (0.38) | ALDH1A1HPGDPDE4DPTPN1KDM4E | |
| SCHEMBL31260257 | 0.66 | KDM4E (0.42) | PDE4DPTPN1KDM4EPPARG |
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-1998034646-A2 | TARGETED ANTIOXIDANTS | UNIVERSITY OF HERTFORDSHIRE (GB) | 1998-08-13 | — | — | WO | claimed |