Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14530533 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL14471162 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL7403189 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL13176595 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL19057196 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL4246837 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL13069738 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL12186961 | 0.79 | LTA4H (0.44) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL16704776 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL824071 | 0.76 | ALDH1A1 (0.53) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9234007-B2 | RGD mimetic γ-AApeptides and methods of use | UNIVERSITY OF SOUTH FLORIDA (US) | 2016-01-12 | — | — | US | 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-0368154-A1 | Polyether bis-phosphonic acid compounds | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | disclosed |