Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 5/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16102621 | 0.78 | MAP3K14 (0.42) | MAP3K14AKR1B1APPBACE1 | |
| SCHEMBL18211725 | 0.72 | MAP3K14 (0.50) | MAP3K14AKR1B1APPBACE1 | |
| SCHEMBL9232640 | 0.71 | MAP3K14 (0.48) | MAP3K14AKR1B1APPBACE1 | |
| SCHEMBL5399703 | 0.71 | MAP3K14 (0.49) | MAP3K14AKR1B1NPC1RAB9AAPP | |
| SCHEMBL6605548 | 0.71 | MAP3K14 (0.49) | MAP3K14AKR1B1NPC1RAB9AAPP | |
| SCHEMBL6605552 | 0.71 | MAP3K14 (0.49) | MAP3K14AKR1B1NPC1RAB9AAPP | |
| SCHEMBL11367364 | 0.70 | MAP3K14 (0.47) | MAP3K14AKR1B1MAPTNPC1RAB9A | |
| SCHEMBL6761742 | 0.68 | MAP3K14 (0.43) | MAP3K14AKR1B1MEN1KMT2AKDM4E | |
| SCHEMBL6606788 | 0.68 | MAP3K14 (0.43) | MAP3K14AKR1B1MEN1KMT2AKDM4E | |
| SCHEMBL28699883 | 0.67 | MAP3K14 (0.67) | MAP3K14AKR1B1MAPTNPC1RAB9A |
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-2976340-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-01-27 | — | — | EP | disclosed |
| WO-2014146490-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014146246-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | disclosed |