Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 6/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29364953 | 0.96 | STAT3 (0.69) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL1881893 | 0.96 | STAT3 (0.69) | STAT3ALDH1A1MAPTLMNAHTT | |
| Napabucasin SCHEMBL29349770 | 0.88 | STAT3 (1.00) | STAT3ALDH1A1MAPTLMNAHTT | |
| Napabucasin SCHEMBL1883845 | 0.88 | STAT3 (1.00) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL12640066 | 0.84 | ALDH1A1 (0.54) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL13925109 | 0.83 | STAT3 (0.52) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL29364489 | 0.80 | STAT3 (0.71) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL29362059 | 0.80 | STAT3 (0.71) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL14656586 | 0.80 | STAT3 (0.71) | STAT3ALDH1A1MAPTLMNAHTT | |
| SCHEMBL14656628 | 0.80 | STAT3 (0.71) | STAT3ALDH1A1MAPTLMNAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190429-A1 | A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS | Boston Biomedical, Inc. (US) | 2010-06-02 | — | — | EP | claimed |
| WO-2009036099-A1 | A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS | BOSTON BIOMEDICAL, INC. (US) | 2009-03-19 | — | — | WO | claimed |