Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4766909 | 0.91 | CYP1A2 (0.62) | KDM4EESR1ESR2CYP1A2ALDH1A1 | |
| SCHEMBL445130 | 0.88 | KDM4E (0.55) | KDM4EESR1ESR2MAOBTSHR | |
| SCHEMBL1473630 | 0.88 | CYP1A2 (0.47) | KDM4EHRH3CYP1A2DRD2DRD3 | |
| SCHEMBL4763329 | 0.85 | MAOB (0.57) | KDM4EMAOBTSHRDRD2DRD3 | |
| SCHEMBL1474114 | 0.85 | LTA4H (0.46) | KDM4EKCNH2CYP1A2MAOADRD2 | |
| SCHEMBL443699 | 0.84 | MAOB (0.55) | KDM4EMAOBTSHRMAOADRD2 | |
| SCHEMBL18611964 | 0.83 | MAOB (0.52) | MAOBMAOAALDH1A1 | |
| SCHEMBL18591911 | 0.83 | MAOB (0.52) | KDM4EMAOBMAOAALDH1A1HPGD | |
| SCHEMBL2251526 | 0.81 | KDM4E (0.54) | KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL4577973 | 0.81 | MAOB (0.63) | KDM4EESR1ESR2MAOBTSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | claimed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | claimed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | claimed |
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | disclosed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | disclosed |