Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28407960 | 0.81 | ALDH1A1 (0.40) | ALDH1A1PKML3MBTL1TAAR1HTR2A | |
| SCHEMBL574245 | 0.81 | ALDH1A1 (0.40) | ALDH1A1PKML3MBTL1TAAR1HTR2A | |
| SCHEMBL1799400 | 0.77 | ALDH1A1 (0.39) | ALDH1A1PKML3MBTL1TAAR1HTR2A | |
| SCHEMBL1796846 | 0.77 | ALDH1A1 (0.44) | ALDH1A1PKML3MBTL1HTR2AHTR2C | |
| SCHEMBL11412833 | 0.76 | ALDH1A1 (0.41) | ALDH1A1PKML3MBTL1MAPK1TAAR1 | |
| SCHEMBL27453998 | 0.74 | HTR2A (0.35) | ALDH1A1PKML3MBTL1TAAR1HTR2A | |
| SCHEMBL27299166 | 0.73 | L3MBTL1 (0.38) | ALDH1A1PKML3MBTL1TAAR1HTR2A | |
| SCHEMBL2999902 | 0.72 | HTR2A (0.34) | ALDH1A1PKML3MBTL1HTR2AHTR2C | |
| SCHEMBL11416392 | 0.72 | MAPT (0.37) | ALDH1A1PKML3MBTL1HTR2AHTR2C | |
| SCHEMBL27927715 | 0.72 | ALDH1A1 (0.34) | ALDH1A1PKML3MBTL1HTR2AHTR2C |
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-109706198-A | A kind of method that online enzyme process closes nitro imidazole derivatives | 浙江工业大学 | 2019-05-03 | — | — | CN | disclosed |