Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2161485 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL13564645 | 0.85 | ALDH1A1 (0.33) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2160934 | 0.85 | ALDH1A1 (0.33) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL17425057 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL21431010 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL24780981 | 0.82 | ALDH1A1 (0.31) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL14000205 | 0.80 | ALDH1A1 (0.79) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL23802112 | 0.75 | ALDH1A1 (0.69) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2160938 | 0.74 | ALDH1A1 (0.31) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL8006353 | 0.74 | — | — |
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-1728838-B1 | Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same | FUJIFILM CORP (JP) | 2007-08-15 | — | — | EP | disclosed |
| EP-1721945-B1 | Ink composition | FUJIFILM CORP (JP) | 2007-08-15 | — | — | EP | disclosed |