Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28641845 | 0.85 | HRAS (0.41) | MEN1KMT2AMAPTSMN1; SMN2PLK1 | |
| SCHEMBL28630187 | 0.83 | HTR6 (0.42) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28631375 | 0.81 | ALDH1A1 (0.41) | MEN1KMT2AMAPTSMN1; SMN2PLK1 | |
| SCHEMBL28626832 | 0.73 | CYP2C19 (0.52) | MEN1KMT2AMAPTSMN1; SMN2PLK1 | |
| SCHEMBL19049586 | 0.73 | KMT2A (0.54) | MEN1KMT2ACRHBPCRHR2MAPT | |
| SCHEMBL28628613 | 0.71 | PLK1 (0.43) | MEN1KMT2AMAPTPLK1CYP2C19 | |
| SCHEMBL28631316 | 0.70 | CYP2C19 (0.48) | MEN1KMT2AMAPTPLK1CYP2C19 | |
| SCHEMBL2886797 | 0.68 | CYP2C19 (0.47) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28630764 | 0.66 | ESRRA (0.41) | SMN1; SMN2PLK1CYP2C19 | |
| SCHEMBL28496780 | 0.65 | PLK1 (0.47) | MAPTPLK1CYP2C19MAPK1 |
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 |