Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.52 |
| ▸ | MELK | Q14680 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | INSR | P06213 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | KHK | P50053 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL13734515 | 0.88 | MELK (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13735876 | 0.86 | PTGS2 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL28809680 | 0.85 | PTGS2 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13736967 | 0.85 | PTGS2 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13734680 | 0.85 | CHRNA7 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13736909 | 0.83 | DGAT1 (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13736077 | 0.83 | PIK3CD (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13733761 | 0.82 | JAK2 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13733687 | 0.82 | MAP4K1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13735233 | 0.82 | MAP4K1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 |
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-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |