Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.35 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472382 | 1.00 | LPAR1 (0.39) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL8780679 | 0.94 | SLC2A1 (0.39) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL8463579 | 0.89 | MAPT (0.35) | KMT2ALMNAALDH1A1MEN1MAPT | |
| Timcodar SCHEMBL3673444 | 0.86 | L3MBTL1 (0.37) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| Timcodar SCHEMBL1492143 | 0.86 | L3MBTL1 (0.37) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL6570451 | 0.86 | L3MBTL1 (0.37) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL6570448 | 0.86 | L3MBTL1 (0.37) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL6570407 | 0.85 | LPAR1 (0.46) | LPAR1LMNAHTTALDH1A1L3MBTL1 | |
| Timcodar SCHEMBL30929684 | 0.82 | ALDH1A1 (0.36) | LPAR1KMT2ALMNAHTTALDH1A1 | |
| SCHEMBL7181772 | 0.82 | F10 (0.38) | KMT2ALMNAALDH1A1MEN1MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2475365-A1 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRI(DYL)-1-[2-[4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2012-07-18 | — | — | EP | claimed |
| WO-2011031926-A1 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRIDYL)-1-[2-[4-PYRIDYL)ETHYL]PROPANAMIDE AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-17 | — | — | WO | claimed |
| CN-102655865-A | Compositions of n-benzyl-3-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl) acetyl]amino]-n-[3-(4-pyridyl)-1-[2-[4-pyridyl)ethyl]propanamide and uses thereof | VERTEX PHARMA | 2012-09-05 | — | — | CN | disclosed |
| EP-2475365-A1 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRI(DYL)-1-[2-[4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2012-07-18 | — | — | EP | disclosed |
| EP-2475365-A1 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRI(DYL)-1-[2-[4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011031926-A8 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRI(DYL)-1-[2-[4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2011031926-A1 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRIDYL)-1-[2-[4-PYRIDYL)ETHYL]PROPANAMIDE AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-17 | — | — | WO | disclosed |
| WO-2011031926-A1 | COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRIDYL)-1-[2-[4-PYRIDYL)ETHYL]PROPANAMIDE AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-17 | — | — | WO | disclosed |