Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21153062 | 0.88 | PTGS1 (0.37) | PTGS1GSTK1MMP3ACEALDH1A1 | |
| SCHEMBL21153060 | 0.84 | PTGS1 (0.39) | PTGS1GSTK1MMP3ACEALDH1A1 | |
| SCHEMBL22792782 | 0.84 | PTGS1 (0.39) | PTGS1GSTK1MMP3ACEALDH1A1 | |
| SCHEMBL27639531 | 0.82 | ALDH1A1 (0.50) | PTGS1GSTK1MMP3ACEALDH1A1 | |
| SCHEMBL11112354 | 0.81 | ACE (0.42) | MMP3ACEMAPTPTGS2KDM4E | |
| SCHEMBL11116277 | 0.81 | BMP1 (0.40) | MMP3ACEMAPTPTGS2KDM4E | |
| SCHEMBL23366270 | 0.81 | PTGS1 (0.42) | PTGS1GSTK1ACEMAPTPTGS2 | |
| Hydrochloric Acid SCHEMBL11114588 | 0.80 | BMP1 (0.39) | MMP3ACEMAPTPTGS2KDM4E | |
| Hydrochloric Acid SCHEMBL11111556 | 0.80 | ACE (0.41) | MMP3ACEMAPTPTGS2KDM4E | |
| SCHEMBL21153272 | 0.78 | PTGS1 (0.44) | PTGS1GSTK1ACEALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3508476-B1 | AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION | SHANGHAI KECHOW PHARMA INC (CN) | 2023-11-22 | — | — | EP | disclosed |
| EP-3508476-A1 | AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION | Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) | 2019-07-10 | — | — | EP | disclosed |