Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22877143 | 0.84 | CTSK (0.49) | CTSKNPSR1MAPTSIGMAR1CTSS | |
| SCHEMBL16364941 | 0.83 | CTSK (0.50) | CTSKNPSR1MAPTSIGMAR1CTSS | |
| SCHEMBL699601 | 0.81 | MAPT (0.61) | CTSKMAPTCTSLCTSB | |
| SCHEMBL12247705 | 0.81 | MAPT (0.61) | CTSKMAPTCTSLCTSB | |
| SCHEMBL4821212 | 0.79 | MAPT (0.66) | CTSKMAPTCTSLCTSB | |
| SCHEMBL4961185 | 0.79 | SIGMAR1 (0.62) | NPSR1SIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL22102023 | 0.78 | NPSR1 (0.61) | NPSR1SIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL5468072 | 0.78 | NPSR1 (0.61) | NPSR1SIGMAR1MMP1MMP3MMP9 | |
| SCHEMBL5500108 | 0.77 | SYK (0.58) | CTSKMAPTMEN1KMT2AGAA | |
| SCHEMBL4583683 | 0.77 | POLB (0.65) | CTSKNPSR1SIGMAR1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3224354-B1 | ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS | CODEXIS INC (US) | 2021-01-13 | — | — | EP | disclosed |