Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9858391 | 0.94 | CETP (0.42) | TSHRMEN1KMT2ANPSR1CETP | |
| SCHEMBL4150229 | 0.92 | TSHR (0.48) | TSHRALDH1A1NPSR1CETPKCNH2 | |
| SCHEMBL20990542 | 0.86 | CETP (0.43) | TSHRALDH1A1NPSR1CETPNAAA | |
| SCHEMBL10442280 | 0.83 | CETP (0.44) | TSHRCETP | |
| SCHEMBL2688043 | 0.80 | CETP (0.51) | CETP | |
| SCHEMBL8717188 | 0.80 | TSHR (0.41) | TSHRCETP | |
| SCHEMBL1238316 | 0.80 | TSHR (0.56) | TSHRALDH1A1LMNANPSR1CETP | |
| SCHEMBL578077 | 0.79 | CETP (0.50) | CETP | |
| SCHEMBL3586787 | 0.79 | IDO1 (0.40) | TSHRMEN1LMNAKMT2ANPSR1 | |
| SCHEMBL4145460 | 0.79 | TSHR (0.53) | TSHRALDH1A1MEN1LMNAKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5312953-A | Reacting alkali/ne earth/ salt of hydroxyalkylphosphonic acid dialkyl ester with a 2-benzyloxyalkyl sulfonate, hydrogenating product, reacting with hydrogen ion acceptor and a sulfonyl chloride, reacting product with hydroxyalkylphosphonate | W. R. GRACE & CO.-CONN. (US) | 1994-05-17 | — | — | US | claimed |
| EP-0368154-A1 | Polyether bis-phosphonic acid compounds | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | claimed |
| US-5312953-A | Reacting alkali/ne earth/ salt of hydroxyalkylphosphonic acid dialkyl ester with a 2-benzyloxyalkyl sulfonate, hydrogenating product, reacting with hydrogen ion acceptor and a sulfonyl chloride, reacting product with hydroxyalkylphosphonate | W. R. GRACE & CO.-CONN. (US) | 1994-05-17 | — | — | US | disclosed |
| US-5266722-A | Corrosion resistance | W. R. GRACE & CO.-CONN. (US) | 1993-11-30 | — | — | US | disclosed |
| EP-0368155-B1 | INHIBITING CORROSION IN AQUEOUS SYSTEMS | W.R. Grace & Co.-Conn. (US) | 1993-04-21 | — | — | EP | disclosed |
| US-4981648-A | BIS-PHOSPHONIC ACID ETHERS | W. R. GRACE & CO.-CONN. (US) | 1991-01-01 | — | — | US | disclosed |
| EP-0368155-A1 | Inhibiting corrosion in aqueous systems | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | disclosed |
| EP-0368154-A1 | Polyether bis-phosphonic acid compounds | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | disclosed |