Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | HPGDS | O60760 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28139433 | 0.79 | BRD4 (0.39) | ADORA2AALDH1A1BRD4BRD2BRD3 | |
| SCHEMBL7976970 | 0.77 | ALDH1A1 (0.50) | ADORA2AALDH1A1BRD4BRD2BRD3 | |
| SCHEMBL1177969 | 0.76 | KDM4E (0.53) | BRD4BRD2BRD3BAZ2BBAZ2A | |
| SCHEMBL4777973 | 0.72 | KDM4E (0.50) | ADORA2AALDH1A1BRD4KDM4EPKM | |
| SCHEMBL28958350 | 0.70 | TGFBR1 (0.43) | ADORA2AALDH1A1BRD4BRD2BRD3 | |
| SCHEMBL22230614 | 0.70 | CHRNB2 (0.49) | ALDH1A1BRD4BRD2BRD3BAZ2B | |
| SCHEMBL477370 | 0.69 | KDM4E (0.50) | ALDH1A1BRD4KDM4EPKMHPGD | |
| SCHEMBL24889874 | 0.69 | KDM4E (0.38) | ADORA2AALDH1A1BRD4BRD2BRD3 | |
| SCHEMBL21666537 | 0.69 | KDM4E (0.54) | ALDH1A1KDM4EPKMHPGDLMNA | |
| SCHEMBL24888335 | 0.69 | KDM4E (0.54) | ALDH1A1KDM4EPKMHPGDLMNA |
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-0983228-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-0983228-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998050342-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-12 | — | — | WO | disclosed |