Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | STAT1 | P42224 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25284514 | 0.90 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL16863103 | 0.83 | CYP2A6 (0.49) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL16863126 | 0.78 | MAPT (0.53) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL4146995 | 0.78 | MAPT (0.58) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL10236226 | 0.74 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL16863146 | 0.74 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL16863110 | 0.73 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL19784 | 0.73 | CDK2 (0.51) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL2147477 | 0.73 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL16866896 | 0.72 | FYN (0.48) | NPC1RAB9ASMN1; SMN2KDM4EMAPT |
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-2608669-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |
| WO-2011090935-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-28 | — | — | WO | disclosed |