Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | PGK1 | P00558 | 3/20 | 0.37 |
| ▸ | PGK2 | P07205 | 3/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723026 | 0.80 | ALDH1A1 (0.65) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL21082645 | 0.75 | TSHR (0.58) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL17288747 | 0.75 | TSHR (0.58) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL146900 | 0.75 | TSHR (0.58) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL30619668 | 0.72 | TSHR (0.55) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL4117010 | 0.72 | ALDH1A1 (0.55) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL575905 | 0.72 | TSHR (0.55) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL13741253 | 0.70 | ALDH1A1 (0.52) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL7638465 | 0.70 | TSHR (0.60) | TSHRALDH1A1PTPN1CA1CA2 | |
| SCHEMBL11691261 | 0.70 | TSHR (0.60) | TSHRALDH1A1PTPN1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6468445-B2 | EXTRACTION USING MIXTURE OF ORGANOBORON COMPOUND, POLYOXYETHYLENE GLYCOL AND ORGANOPHOSPHORUS COMPOUND | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY | 2002-10-22 | — | — | US | disclosed |
| US-20010033814-A1 | Novel solvent for the simultaneous recovery of radionuclides from liquid radioactive wastes | ROMANOVSKIY VALERIY NICHOLIAVI (RU) | 2001-10-25 | — | — | US | disclosed |
| US-6258333-B1 | EXTRACTING REAGENT COMPRISING COMPLEX ORGANOBORON COMPOUNDS, SUBSTITUTED POLYETHYLENE GLYCOLS, AND NEUTRAL ORGANOPHOSPHORUS COMPOUNDS IN DILUENT TO RECOVER CESIUM, STRONTIUM, RARE EARTHS AND ACTINIDES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY | 2001-07-10 | — | — | US | disclosed |