Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2148505 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL2146500 | 0.97 | ALDH1A1 (0.48) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL2146495 | 0.97 | ALDH1A1 (0.48) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL18745367 | 0.93 | ALDH1A1 (0.43) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL24702047 | 0.87 | ALDH1A1 (0.50) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL16992001 | 0.83 | MAPK1 (0.49) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL26140448 | 0.83 | L3MBTL1 (0.47) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL16072925 | 0.81 | TSHR (0.47) | ALDH1A1EPHX2L3MBTL1KMT2AMEN1 | |
| SCHEMBL18944154 | 0.80 | L3MBTL1 (0.53) | ALDH1A1GAAEPHX2MAPK1LMNA | |
| SCHEMBL16072922 | 0.80 | KDM5A (0.47) | L3MBTL1KMT2AMEN1RAB9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011088045-A1 | AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE | AMBIT BIOSCIENCES CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |