Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28994311 | 0.91 | TSHR (0.48) | TSHRPPARDCYP3A4TP53TDP1 | |
| SCHEMBL9499680 | 0.87 | TSHR (0.60) | TSHRPPARDTP53TDP1MEN1 | |
| SCHEMBL9417127 | 0.87 | TSHR (0.44) | TSHRPPARDCYP3A4TP53TDP1 | |
| SCHEMBL19352052 | 0.86 | PPARD (0.52) | TSHRPPARDTP53TDP1HPGD | |
| SCHEMBL7940743 | 0.84 | TSHR (0.57) | TSHRPPARDTP53TDP1MEN1 | |
| SCHEMBL8419424 | 0.84 | TSHR (0.46) | TSHRPPARDTP53TDP1HPGD | |
| SCHEMBL13541250 | 0.84 | SMN1; SMN2 (0.55) | TSHRPPARDCYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL8399163 | 0.84 | PPARD (0.56) | TSHRPPARDTP53TDP1ALDH1A1 | |
| SCHEMBL8717740 | 0.84 | TSHR (0.46) | TSHRPPARDTP53TDP1HPGD | |
| SCHEMBL13875497 | 0.84 | TSHR (0.46) | TSHRPPARDTP53TDP1ALDH1A1 |
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 6 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 | 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 |