Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TET2 | Q6N021 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8633298 | 0.81 | TSHR (0.35) | TET2AKR1B1PARP1MEP1BKMT2A | |
| SCHEMBL939874 | 0.79 | GAA (0.40) | SLC9A1MYCMEP1BPOLBKMT2A | |
| Water SCHEMBL3135477 | 0.78 | GAA (0.39) | SLC9A1MYCMEP1BPOLBKMT2A | |
| SCHEMBL10712507 | 0.78 | CA12 (0.34) | AKR1B1TSHRCA12CA1CA2 | |
| SCHEMBL8633569 | 0.76 | ALDH1A1 (0.38) | KMT2ATSHRCA1CA2CA9 | |
| SCHEMBL10590409 | 0.76 | PARP1 (0.41) | TET2AKR1B1PARP1MYCMEP1B | |
| SCHEMBL2057874 | 0.75 | TRPA1 (0.37) | POLBKMT2ATSHRMAPK1CA2 | |
| SCHEMBL16339268 | 0.75 | TSHR (0.47) | MYCBRD4RXFP1MEP1BKMT2A | |
| SCHEMBL795339 | 0.74 | AKR1B1 (0.46) | TET2AKR1B1POLBCA9CCR2 | |
| Hydrochloric Acid SCHEMBL28017438 | 0.73 | TSHR (0.46) | MYCBRD4RXFP1MEP1BKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5705702-A | REACTING AN ARYL GRIGNARD REAGENT WITH THIONYL CHLORIDE, THEN WITH TRIORGANOSILYL SULFONATE OR TRIORGANOSILYLHALIDE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-01-06 | — | — | US | disclosed |