Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.44 |
| ▸ | BMP1 | P13497 | 2/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22792931 | 1.00 | PTGS1 (0.44) | PTGS1GSTK1BMP1ACEMAPT | |
| SCHEMBL16300496 | 0.87 | PTGS1 (0.41) | PTGS1GSTK1ACEMAPTPTGS2 | |
| SCHEMBL21153060 | 0.86 | PTGS1 (0.39) | PTGS1GSTK1BMP1ACEMAPT | |
| SCHEMBL22792782 | 0.86 | PTGS1 (0.39) | PTGS1GSTK1BMP1ACEMAPT | |
| SCHEMBL21153272 | 0.83 | PTGS1 (0.44) | PTGS1GSTK1BMP1ACEMAPT | |
| SCHEMBL19934769 | 0.82 | BMP1 (0.41) | PTGS1GSTK1BMP1ACEMAPT | |
| SCHEMBL19934736 | 0.82 | BMP1 (0.41) | PTGS1GSTK1BMP1ACEMAPT | |
| SCHEMBL21135087 | 0.82 | BMP1 (0.46) | BMP1ACEMAPTPTGS2KDM4E | |
| SCHEMBL21153275 | 0.82 | BMP1 (0.46) | BMP1ACEMAPTPTGS2KDM4E | |
| SCHEMBL21134710 | 0.82 | BMP1 (0.46) | BMP1ACEMAPTPTGS2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3984993-A1 | USE OF AMINOTHIOL COMPOUNDS AS CEREBRAL NERVE OR HEART PROTECTIVE AGENT | Shanghai Kechow Pharma, Inc. (CN) | 2022-04-20 | — | — | EP | disclosed |