Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK2 | P53671 | 8/20 | 0.48 |
| ▸ | NAMPT | P43490 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062228 | 0.80 | GSTO1 (0.48) | NAMPTALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4695349 | 0.79 | NAMPT (0.54) | NAMPTCA1CA2HDAC4ALDH1A1 | |
| SCHEMBL4693228 | 0.77 | NAMPT (0.52) | NAMPTCA1CA2HDAC4DRD2 | |
| SCHEMBL31003180 | 0.77 | NAMPT (0.52) | NAMPTHDAC4GAAKMT2ADRD2 | |
| SCHEMBL12302019 | 0.77 | NAMPT (0.52) | NAMPTMMP13HDAC4ALDH1A1DRD2 | |
| SCHEMBL8051187 | 0.76 | NAMPT (0.40) | NAMPTCA2HDAC4 | |
| SCHEMBL28506371 | 0.76 | NAMPT (0.51) | NAMPTHDAC4ALDH1A1CYP1A2ATM | |
| SCHEMBL634452 | 0.76 | NAMPT (0.56) | NAMPTHDAC4KMT2ADRD2 | |
| SCHEMBL23471013 | 0.75 | NAMPT (0.50) | NAMPTHDAC4DRD2 | |
| SCHEMBL749793 | 0.74 | NAMPT (0.49) | NAMPTHDAC4ALDH1A1GAADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105142627-A | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS INC | 2015-12-09 | — | — | CN | disclosed |