Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MMP12 | P39900 | 4/20 | 0.47 |
| ▸ | MMP13 | P45452 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | BCAT1 | P54687 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790155 | 0.79 | MEN1 (0.51) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 | |
| SCHEMBL28745516 | 0.73 | MMP12 (0.53) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 | |
| SCHEMBL6340411 | 0.72 | MMP12 (0.59) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 | |
| SCHEMBL7137857 | 0.72 | MMP13 (0.52) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 | |
| SCHEMBL7345951 | 0.70 | MMP12 (0.50) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 | |
| SCHEMBL7347007 | 0.70 | MMP13 (0.57) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 | |
| SCHEMBL8559241 | 0.70 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAKDM4EMMP13 | |
| SCHEMBL4425599 | 0.70 | MMP12 (0.62) | MMP12MMP13KEAP1 | |
| SCHEMBL4425589 | 0.70 | MMP12 (0.62) | MMP12MMP13KEAP1 | |
| SCHEMBL7351117 | 0.69 | MMP12 (0.53) | CYP1A2CYP2C19MEN1CYP3A4CYP2C9 |
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-1159260-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000055124-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |