Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9312777 | 0.80 | PDE2A (0.37) | TSHRPDE2AALDH1A1MAPTGAA | |
| SCHEMBL816745 | 0.80 | PDE2A (0.37) | TSHRPDE2AALDH1A1MAPTGAA | |
| SCHEMBL130383 | 0.80 | TSHR (0.56) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL394717 | 0.80 | TSHR (0.56) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| Hydrochloric Acid SCHEMBL9741395 | 0.78 | TSHR (0.54) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL27859051 | 0.78 | TSHR (0.54) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| Iodide SCHEMBL31550893 | 0.78 | TSHR (0.54) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL8999915 | 0.73 | TSHR (0.50) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL716180 | 0.73 | TSHR (0.50) | TSHRMAPK1NR2E1KIF11PTPN5 | |
| SCHEMBL29576147 | 0.73 | TSHR (0.50) | TSHRMAPK1NR2E1KIF11PTPN5 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6806388-B2 | Polyfluorinated aromatic or heterocyclic derivatives with sulphurpentalfluoride group(s) | F2 CHEMICALS LIMITED (GB) | 2004-10-19 | — | — | US | claimed |
| EP-1341756-A1 | POLYFLUORINATED AROMATIC OR HETEROCYCLIC DERIVATIVES WITH SULPHURPENTAFLUORIDE GROUP(S) | F2 Chemicals Limited (GB) | 2003-09-10 | — | — | EP | claimed |
| US-20030096999-A1 | Polyfluorinated aromatic or heterocyclic derivatives with sulphurpentalfuoride group(s) | F2 CHEMICALS LIMITED (GB) | 2003-05-22 | — | — | US | claimed |
| WO-2002042263-A1 | POLYFLUORINATED AROMATIC OR HETEROCYCLIC DERIVATIVES WITH SULPHURPENTAFLUORIDE GROUP(S) | F2 CHEMICALS LIMITED (GB) | 2002-05-30 | — | — | WO | claimed |
| EP-1341756-A1 | POLYFLUORINATED AROMATIC OR HETEROCYCLIC DERIVATIVES WITH SULPHURPENTAFLUORIDE GROUP(S) | F2 Chemicals Limited (GB) | 2003-09-10 | — | — | EP | disclosed |
| US-20030096999-A1 | Polyfluorinated aromatic or heterocyclic derivatives with sulphurpentalfuoride group(s) | F2 CHEMICALS LIMITED (GB) | 2003-05-22 | — | — | US | disclosed |
| WO-2002042263-A1 | POLYFLUORINATED AROMATIC OR HETEROCYCLIC DERIVATIVES WITH SULPHURPENTAFLUORIDE GROUP(S) | F2 CHEMICALS LIMITED (GB) | 2002-05-30 | — | — | WO | disclosed |