Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347266 | 0.82 | GSR (0.56) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL27319378 | 0.76 | GSR (0.69) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL28047729 | 0.74 | GSR (0.71) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL28215784 | 0.73 | GSR (0.69) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL9803273 | 0.71 | GSR (0.67) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL28885399 | 0.70 | GSR (0.65) | GSRPTGS2PTGS1ALDH1A1NPC1 | |
| SCHEMBL28958827 | 0.70 | GSR (0.65) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL1348356 | 0.70 | GSR (0.55) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| Phosphine SCHEMBL28215785 | 0.69 | GSR (0.53) | GSRPTGS2PTGS1KMT2AALDH1A1 | |
| SCHEMBL8957398 | 0.67 | GSR (0.51) | GSRPTGS2PTGS1KMT2AALDH1A1 |
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-107973819-B | beta-phosphorylated nitrate compound and preparation method thereof | 烟台大学 | 2019-12-17 | — | — | CN | disclosed |