Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4004807 | 0.89 | RIPK1 (0.39) | KMT2ARIPK1TSHRATML3MBTL1 | |
| SCHEMBL26689 | 0.81 | KMT2A (0.44) | KMT2AEPHX1THRBIDO1TDO2 | |
| SCHEMBL18297904 | 0.81 | RIPK1 (0.34) | KMT2ARIPK1TSHRATML3MBTL1 | |
| Lithium SCHEMBL30301644 | 0.79 | KMT2A (0.43) | KMT2AEPHX1THRBIDO1TDO2 | |
| Iodide SCHEMBL27504755 | 0.79 | KMT2A (0.43) | KMT2AEPHX1THRBIDO1TDO2 | |
| SCHEMBL18940434 | 0.77 | KMT2A (0.39) | KMT2AEPHX1THRBIDO1TDO2 | |
| SCHEMBL19638102 | 0.77 | PTGS2 (0.42) | ALDH1A1MAPK1SLC6A3SLC6A4 | |
| SCHEMBL10607695 | 0.77 | KMT2A (0.41) | KMT2AEPHX1THRBIDO1TDO2 | |
| SCHEMBL26655 | 0.77 | KMT2A (0.41) | KMT2AEPHX1THRBIDO1TDO2 | |
| SCHEMBL6359298 | 0.77 | KMT2A (0.41) | KMT2AEPHX1THRBIDO1TDO2 |
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-110183352-A | β-carbonyl-(alpha-cyano imines) class compound and its synthetic method | 上海大学 | 2019-08-30 | — | — | CN | disclosed |