Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SULT1E1 | P49888 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.43 |
| ▸ | CDC25A | P30304 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 3/20 | 0.39 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.38 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.38 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.38 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.38 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.38 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.38 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.38 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4451477 | 0.74 | SULT1E1 (0.59) | SULT1E1TSHRALDH1A1MAPTUSP2 | |
| SCHEMBL13446724 | 0.74 | SULT1E1 (0.59) | SULT1E1TSHRALDH1A1MAPTATP1A1 | |
| SCHEMBL8667490 | 0.73 | TSHR (0.59) | SULT1E1TSHRALDH1A1MAPTCDC25A | |
| SCHEMBL13446723 | 0.70 | SULT1E1 (0.54) | SULT1E1TSHRALDH1A1MAPTUSP2 | |
| SCHEMBL14880592 | 0.69 | TSHR (0.56) | SULT1E1TSHRALDH1A1MAPTCYP3A4 | |
| SCHEMBL13856769 | 0.68 | TSHR (1.00) | SULT1E1TSHRALDH1A1MAPTCYP3A4 | |
| SCHEMBL13446725 | 0.68 | ALDH1A1 (1.00) | SULT1E1ALDH1A1MAPTUSP2CYP3A4 | |
| SCHEMBL13446727 | 0.68 | ALDH1A1 (0.61) | SULT1E1ALDH1A1MAPTUSP2CYP3A4 | |
| SCHEMBL29768747 | 0.68 | SULT1E1 (0.52) | SULT1E1ALDH1A1MAPTUSP2CYP3A4 | |
| SCHEMBL8885745 | 0.65 | SULT1E1 (0.48) | SULT1E1TSHRALDH1A1MAPTUSP2 |
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-2010023347-A1 | ANTI-TUMOUR COMPOUNDS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2010-03-04 | — | — | WO | disclosed |