Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9302950 | 0.97 | KDM4E (0.39) | MEN1KMT2ALMNATYMPKDM4E | |
| SCHEMBL14675830 | 0.89 | TYMP (0.38) | MEN1KMT2ALMNATYMPKDM4E | |
| SCHEMBL11298932 | 0.86 | TYMP (0.39) | MEN1KMT2ALMNATYMPKDM4E | |
| SCHEMBL7572393 | 0.85 | TYMS (0.48) | LMNATYMPALDH1A1TYMSTSHR | |
| SCHEMBL264330 | 0.84 | ALDH1A1 (0.44) | TYMPTHRBALDH1A1NPC1RAB9A | |
| SCHEMBL11298274 | 0.83 | TSHR (0.57) | MEN1KMT2ATHRBTSHRCYP3A4 | |
| SCHEMBL2355129 | 0.83 | KDM4E (0.44) | MEN1KMT2ALMNATYMPKDM4E | |
| SCHEMBL4341560 | 0.82 | — | — | |
| SCHEMBL8420859 | 0.80 | — | — | |
| SCHEMBL264440 | 0.80 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0368155-B1 | INHIBITING CORROSION IN AQUEOUS SYSTEMS | W.R. Grace & Co.-Conn. (US) | 1993-04-21 | — | — | EP | claimed |
| US-4981648-A | BIS-PHOSPHONIC ACID ETHERS | W. R. GRACE & CO.-CONN. (US) | 1991-01-01 | — | — | US | claimed |
| EP-0368155-A1 | Inhibiting corrosion in aqueous systems | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | claimed |
| EP-2665734-B1 | METHOD FOR THE MANUFACTURE OF COMPOUNDS CONTAINING AN alpha-OXY PHOSPHORUS GROUP | STRAITMARK HOLDING AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| 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 |