Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9498785 | 0.97 | TYMS (0.50) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL12227373 | 0.89 | TYMS (0.39) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL3216201 | 0.89 | TYMS (0.39) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL38662410 | 0.89 | TYMS (0.39) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL16007815 | 0.89 | MEN1 (0.55) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL3797187 | 0.89 | TYMS (0.39) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL6224646 | 0.89 | MEN1 (0.55) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL22711008 | 0.89 | MEN1 (0.55) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL20958148 | 0.89 | MEN1 (0.55) | TYMSALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL29819570 | 0.89 | TYMS (0.39) | TYMSALDH1A1LMNACYP3A4NFKB1 |
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 3 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-0368154-A1 | Polyether bis-phosphonic acid compounds | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | disclosed |