Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 1/20 | 0.57 |
| ▸ | ALPI | P09923 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | ALPG | P10696 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.57 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL240086 | 0.90 | GSK3B (0.71) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL4479257 | 0.89 | GSK3B (0.61) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL9734470 | 0.86 | GSK3B (0.67) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL220960 | 0.84 | GSK3B (0.69) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL13670565 | 0.83 | GSK3B (0.54) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL9439988 | 0.83 | GSK3B (0.62) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL10789142 | 0.83 | GSK3B (0.62) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL6650467 | 0.83 | GSK3B (0.62) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL18045554 | 0.83 | GSK3B (0.73) | GSK3BCES1TDP1CA1CA2 | |
| SCHEMBL4477185 | 0.83 | CES1 (0.70) | GSK3BCES1TDP1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016126207-A1 | SELECTIVE CARBON-CARBON BOND CLEAVAGE BY EARTH ABUNDANT VANADIUM COMPOUNDS UNDER VISIBLE LIGHT PHOTOCATALYSIS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-08-11 | — | — | WO | disclosed |
| WO-2016126207-A1 | SELECTIVE CARBON-CARBON BOND CLEAVAGE BY EARTH ABUNDANT VANADIUM COMPOUNDS UNDER VISIBLE LIGHT PHOTOCATALYSIS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-08-11 | — | — | WO | disclosed |
| US-4011321-A | 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-03-08 | — | — | US | disclosed |