Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL254109 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL15221142 | 0.75 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL13195787 | 0.75 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL8316594 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL15229349 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL8923844 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL2182699 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL31584168 | 0.73 | CCR6 (0.58) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL668388 | 0.73 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL24968118 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459565-B1 | SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN | UNIV LELAND STANFORD JUNIOR (US) | 2018-05-02 | — | — | EP | disclosed |