Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.42 |
| ▸ | MMP1 | P03956 | 3/20 | 0.42 |
| ▸ | MMP9 | P14780 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9665700 | 1.00 | HRH3 (0.42) | HRH3MMP1MMP9MMP3GLA | |
| SCHEMBL9667791 | 0.83 | HRH3 (0.51) | HRH3 | |
| SCHEMBL9667779 | 0.83 | HRH3 (0.51) | HRH3 | |
| SCHEMBL9666919 | 0.82 | CAPN1 (0.39) | HRH3 | |
| SCHEMBL9666911 | 0.82 | CAPN1 (0.39) | HRH3 | |
| SCHEMBL30839656 | 0.82 | CAPN1 (0.39) | HRH3 | |
| SCHEMBL9666858 | 0.82 | HRH3 (0.45) | HRH3MMP1MMP9MMP3TACR2 | |
| SCHEMBL8102895 | 0.82 | HRH3 (0.45) | HRH3MMP1MMP9MMP3TACR2 | |
| SCHEMBL6753882 | 0.82 | HRH3 (0.45) | HRH3MMP1MMP9MMP3TACR2 | |
| SCHEMBL9479076 | 0.82 | HRH3 (0.45) | HRH3MMP1MMP9MMP3TACR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0132392-B1 | ASYMMETRIC SYNTHESIS OF ALPHA-SUBSTITUTED-ALPHA-CYANOMETHYL ALCOHOLS | ICI AUSTRALIA LIMITED (AU) | 1992-01-02 | — | — | EP | disclosed |
| EP-0304954-A2 | Cyclic dipeptide enantiomers | ICI AUSTRALIA LIMITED (AU) | 1989-03-01 | — | — | EP | disclosed |
| EP-0132392-A2 | Asymmetric synthesis of alpha-substituted-alpha-cyanomethyl alcohols | ICI AUSTRALIA LIMITED (AU) | 1985-01-30 | — | — | EP | disclosed |