Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL5862223 | 0.82 | CYP2C19 (0.54) | MAPK1NPC1RAB9ARECQL | |
| SCHEMBL1573515 | 0.82 | CYP2C19 (0.54) | MAPK1NPC1RAB9ARECQL | |
| SCHEMBL31477659 | 0.82 | CYP2C19 (0.54) | MAPK1NPC1RAB9ARECQL | |
| SCHEMBL6513375 | 0.81 | HIF1A (0.39) | MAPK1MAPTKDM4ERECQL | |
| SCHEMBL5862815 | 0.81 | MIF (0.49) | ALDH1A1POLBPPARGPPARAMAPT | |
| SCHEMBL530087 | 0.81 | ALDH1A1 (0.48) | ALDH1A1POLBPPARGPPARAMAPK1 | |
| SCHEMBL5860841 | 0.80 | ITGB1 (0.47) | ALDH1A1PPARGPPARAMAPK1MAPT | |
| SCHEMBL5503662 | 0.79 | ALDH1A1 (0.46) | ALDH1A1POLBPPARGPPARAMAPK1 | |
| SCHEMBL23728270 | 0.77 | CYP2C19 (0.59) | ALDH1A1POLBMAPK1MAPTKDM4E | |
| SCHEMBL28975323 | 0.77 | PPARG (0.47) | ALDH1A1POLBPPARGPPARAMAPK1 |
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-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |