Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 3/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 3/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9665711 | 1.00 | ERCC1 (0.39) | ERCC1ERCC4PIN1ADORA3ADORA1 | |
| SCHEMBL9829179 | 0.83 | GPR139 (0.47) | ACEKMT2AMEN1 | |
| SCHEMBL9829196 | 0.83 | GPR139 (0.47) | ACEKMT2AMEN1 | |
| SCHEMBL9829792 | 0.82 | ITGB3 (0.49) | PIN1ACEKMT2AMEN1 | |
| SCHEMBL9829783 | 0.82 | ITGB3 (0.49) | PIN1ACEKMT2AMEN1 | |
| SCHEMBL9829868 | 0.82 | SLC6A9 (0.45) | PIN1ALDH1A1LMNAACEKMT2A | |
| SCHEMBL9829848 | 0.82 | SLC6A9 (0.45) | PIN1ALDH1A1LMNAACEKMT2A | |
| SCHEMBL2475014 | 0.82 | ACE (0.43) | LMNAACE | |
| SCHEMBL30665185 | 0.82 | NPSR1 (0.39) | PIN1ACEKMT2AP2RY14TP53 | |
| SCHEMBL6703122 | 0.82 | SLC6A5 (0.35) | PIN1KDM4EACEKMT2AP2RY14 |
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 |