Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.66 |
| ▸ | FLT3 | P36888 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CLK1 | P49759 | 2/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.52 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8717367 | 0.87 | KMT2A (0.55) | AKR1B1LMNAKDM4EALDH1A1GAA | |
| SCHEMBL21187892 | 0.87 | MAPT (0.68) | AKR1B1FLT3KDM4EALDH1A1HPGD | |
| SCHEMBL22479070 | 0.86 | AKR1B1 (0.53) | AKR1B1LMNAKDM4EALDH1A1CASP1 | |
| SCHEMBL22479063 | 0.86 | PIM1 (0.60) | AKR1B1LMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6622934 | 0.86 | MAPT (0.53) | AKR1B1LMNAKDM4EALDH1A1HPGD | |
| SCHEMBL4924372 | 0.86 | AKR1B1 (0.53) | AKR1B1KDM4EALDH1A1MAPTHTT | |
| SCHEMBL6624774 | 0.84 | AKR1B1 (0.51) | AKR1B1LMNAKDM4EALDH1A1CASP1 | |
| SCHEMBL6981476 | 0.83 | MAPT (0.50) | AKR1B1LMNAKDM4EALDH1A1HPGD | |
| SCHEMBL15714290 | 0.83 | PIM1 (0.63) | AKR1B1LMNAMAPTHTTTSHR | |
| SCHEMBL1473963 | 0.82 | MAOB (0.68) | AKR1B1FLT3LMNAKDM4EALDH1A1 |
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-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 |