Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 1/20 | 0.33 |
| ▸ | USP8 | P40818 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12640076 | 0.87 | S100A4 (0.46) | S100A4HSP90AA1PPOXUSP8USP7 | |
| SCHEMBL18030271 | 0.82 | ALDH1A1 (0.43) | NPC1ALDH1A1MAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL13925108 | 0.78 | STAT3 (0.52) | S100A4METAP1HSP90AA1PPOXALDH1A1 | |
| SCHEMBL13699055 | 0.75 | S100A4 (0.67) | S100A4METAP1HSP90AA1PPOXUSP8 | |
| SCHEMBL13924796 | 0.72 | IDO1 (0.42) | S100A4ALDH1A1MAPK1LMNAMAPT | |
| SCHEMBL12640078 | 0.70 | ALDH1A1 (0.39) | USP8USP7USP47NPC1ALDH1A1 | |
| SCHEMBL29362087 | 0.69 | ALDH1A1 (0.56) | S100A4USP8USP7CES1NPC1 | |
| SCHEMBL1885714 | 0.69 | ALDH1A1 (0.56) | S100A4USP8USP7CES1NPC1 | |
| SCHEMBL13924973 | 0.69 | STAT3 (0.41) | ALDH1A1MAPK1 | |
| SCHEMBL10924194 | 0.67 | S100A4 (0.50) | S100A4METAP1HSP90AA1PPOXCES1 |
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-2194987-B1 | NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS | BOSTON BIOMEDICAL INC (US) | 2016-05-18 | — | — | EP | disclosed |
| WO-2009036059-A2 | NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS | BOSTON BIOMEDICAL, INC. (US) | 2009-03-19 | — | — | WO | disclosed |