Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HAO1 | Q9UJM8 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | MMP9 | P14780 | 4/20 | 0.46 |
| ▸ | MMP8 | P22894 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12333038 | 0.91 | SMN1; SMN2 (0.44) | SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B | |
| SCHEMBL13557299 | 0.89 | GSK3B (0.68) | SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B | |
| SCHEMBL12647724 | 0.84 | PTPN1 (0.44) | SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B | |
| SCHEMBL12300577 | 0.82 | GSK3B (0.38) | SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B | |
| SCHEMBL12153522 | 0.82 | NPC1 (0.60) | MAPTL3MBTL1PTPN1LMNARAB9A | |
| SCHEMBL13655368 | 0.80 | TPMT (0.52) | PTPN1GSK3BRAB9A | |
| SCHEMBL7999198 | 0.80 | GSK3B (0.61) | SMN1; SMN2MAPTL3MBTL1GSK3BLMNA | |
| SCHEMBL13191468 | 0.80 | MAPT (0.45) | MAPTLMNACYP1A2RAB9AHIF1A | |
| SCHEMBL8751033 | 0.80 | GSK3B (0.64) | GSK3BLMNARAB9AHAO1HPGD | |
| SCHEMBL12659978 | 0.80 | GSK3B (0.64) | MAPTL3MBTL1GSK3BLMNARAB9A |
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-2183244-B1 | CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT | BRISTOL MYERS SQUIBB CO (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011028596-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-03-10 | — | — | WO | disclosed |