Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | EEF2K | O00418 | 3/20 | 0.49 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.48 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL167045 | 1.00 | ALDH1A1 (0.59) | ALDH1A1ATML3MBTL1EEF2KGABBR2 | |
| SCHEMBL1144429 | 1.00 | ALDH1A1 (0.59) | ALDH1A1ATML3MBTL1EEF2KGABBR2 | |
| SCHEMBL6790697 | 0.93 | ALDH1A1 (0.54) | ALDH1A1ATML3MBTL1EEF2KGABBR2 | |
| SCHEMBL24115263 | 0.86 | ALDH1A1 (0.57) | ALDH1A1ATMMAPTHTR1DCYP2C19 | |
| SCHEMBL13593226 | 0.86 | ALDH1A1 (0.57) | ALDH1A1ATMMAPTHTR1DCYP2C19 | |
| SCHEMBL28638350 | 0.85 | ALDH1A1 (0.49) | ALDH1A1ATML3MBTL1EEF2KGABBR2 | |
| SCHEMBL17773011 | 0.85 | ALDH1A1 (0.44) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL15787346 | 0.85 | CYP26A1 (0.54) | ALDH1A1ATML3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL1528607 | 0.85 | ALDH1A1 (0.44) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL15787300 | 0.85 | CYP26A1 (0.54) | ALDH1A1ATML3MBTL1MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8003806-B2 | Integrin antagonists useful as anticancer agents | OSI Pharmaceuticals, LLC (US) | 2011-08-23 | — | — | US | disclosed |