Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28631375 | 0.91 | ALDH1A1 (0.41) | PLK1MAPTSMN1; SMN2LMNAMEN1 | |
| SCHEMBL28641845 | 0.90 | HRAS (0.41) | HTR6PLK1MAPTSMN1; SMN2LMNA | |
| SCHEMBL28628613 | 0.84 | PLK1 (0.43) | PLK1MAPTLMNAMEN1KMT2A | |
| SCHEMBL28631373 | 0.83 | MEN1 (0.43) | PLK1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2886797 | 0.83 | CYP2C19 (0.47) | HTR6PLK1MAPTNPC1RAB9A | |
| SCHEMBL28626832 | 0.78 | CYP2C19 (0.52) | PLK1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8153425 | 0.77 | ALDH1A1 (0.49) | HTR6MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28509692 | 0.75 | MEN1 (0.50) | PLK1LMNAMEN1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL28510870 | 0.74 | MEN1 (0.49) | PLK1MAPTLMNAMEN1KMT2A | |
| SCHEMBL28631316 | 0.74 | CYP2C19 (0.48) | PLK1MAPTLMNAMEN1KMT2A |
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-108947952-B | 2-substituted amino-5-trifluoromethyl-8-nitrobenz (thio) pyran-4-ketone compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2021-09-21 | — | — | CN | disclosed |