Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | VDR | P11473 | 7/20 | 0.32 |
| ▸ | AR | P10275 | 6/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9387754 | 0.77 | MEN1 (0.39) | CYP1A2KDM4ETSHRVDRL3MBTL1 | |
| SCHEMBL2548351 | 0.76 | STAT3 (0.43) | ALDH1A1CYP1A2KDM4ECYP2C9 | |
| SCHEMBL2548348 | 0.76 | STAT3 (0.43) | ALDH1A1CYP1A2KDM4ECYP2C9 | |
| SCHEMBL4621606 | 0.76 | STAT3 (0.43) | ALDH1A1CYP1A2KDM4ECYP2C9 | |
| SCHEMBL8091941 | 0.74 | KMT2A (0.43) | ALDH1A1CYP1A2KDM4ETSHRMAPK1 | |
| SCHEMBL28060735 | 0.74 | CYP1A2 (0.51) | ALDH1A1CYP1A2KDM4ETSHRMAPK1 | |
| Acetone SCHEMBL9451549 | 0.72 | STAT3 (0.43) | ALDH1A1PKMCYP1A2KDM4E | |
| Acetone SCHEMBL8766802 | 0.72 | STAT3 (0.43) | ALDH1A1PKMCYP1A2KDM4E | |
| Acetone SCHEMBL8568091 | 0.72 | STAT3 (0.43) | ALDH1A1PKMCYP1A2KDM4E | |
| SCHEMBL4335282 | 0.71 | CYP2D6 (0.47) | ALDH1A1CYP1A2KDM4ETSHRMAPK1 |
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-2008124132-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE AND INHIBITORS OF LANOSTEROL 14A- DEMETHYLASE FOR USE AS ANGIOGENESIS INHIBITORS | THE JOHNS HOPKINS UNIVERSITY (US) | 2008-10-16 | — | — | WO | disclosed |