Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4554899 | 0.82 | MTNR1B (0.38) | LMNAALDH1A1KDM4EMAPTDUSP3 | |
| SCHEMBL4554533 | 0.82 | DPP4 (0.35) | ALDH1A1MAPTRAB9AHTTSMN1; SMN2 | |
| SCHEMBL21955941 | 0.77 | STS (0.45) | RAB9ASMN1; SMN2L3MBTL1CNR1CNR2 | |
| SCHEMBL4555617 | 0.77 | ALDH1A1 (0.41) | LMNAALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL13347343 | 0.75 | LMNA (0.50) | LMNAALDH1A1KDM4EMAPTDUSP3 | |
| SCHEMBL3665397 | 0.73 | MELK (0.45) | LMNAALDH1A1 | |
| SCHEMBL3726921 | 0.72 | ESR2 (0.55) | MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4032578 | 0.72 | ESR1 (0.51) | — | |
| SCHEMBL4770219 | 0.71 | NPC1 (0.47) | ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2123936 | 0.71 | CAMK2A (0.43) | MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125799-A1 | THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE | Smithkline Beecham Corporation (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008104524-A1 | THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE | SMITHKLINE BEECHAM CORPORATION (US) | 2008-09-04 | — | — | WO | disclosed |