Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | KLK7 | P49862 | 1/20 | 0.45 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL15384071 | 0.89 | CTSK (0.48) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL19068560 | 0.85 | CTSK (0.52) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL23008180 | 0.85 | CTSK (0.52) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL22877388 | 0.84 | CTSK (0.48) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL3498752 | 0.84 | MAPT (0.56) | NPSR1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL12433264 | 0.82 | CTSK (0.51) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL4426973 | 0.82 | CTSK (0.51) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL27330766 | 0.81 | MMP1 (0.54) | CTSKNPSR1MAPTMEN1KMT2A | |
| SCHEMBL30841329 | 0.81 | CTSK (0.57) | CTSKMAPTMEN1KMT2ATDP1 | |
| SCHEMBL27330377 | 0.81 | CTSK (0.57) | CTSKMAPTMEN1KMT2ATDP1 |
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 |