Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 3/20 | 0.31 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10220222 | 0.77 | BACE1 (0.53) | BACE1HDAC1HDAC2NT5ETLR2 | |
| SCHEMBL13825564 | 0.77 | BACE1 (0.42) | BACE1NT5ETLR2CYP3A4CYP2C9 | |
| SCHEMBL13849481 | 0.76 | CYP2A6 (0.39) | ERN1NCEH1CYP2A6TDP1 | |
| SCHEMBL2556988 | 0.74 | BACE1 (0.50) | BACE1HDAC1HDAC2NT5ETLR2 | |
| SCHEMBL2003231 | 0.73 | BACE1 (0.57) | BACE1HDAC1HDAC2NT5ETLR2 | |
| SCHEMBL263494 | 0.72 | BACE1 (0.47) | BACE1HDAC1HDAC2NT5ETLR2 | |
| SCHEMBL27884572 | 0.72 | TDP1 (0.34) | TDP1 | |
| SCHEMBL264392 | 0.71 | BACE1 (0.46) | BACE1HDAC1HDAC2NT5ETLR2 | |
| SCHEMBL2117037 | 0.71 | NT5E (0.57) | BACE1HDAC1HDAC2NT5ETLR2 | |
| SCHEMBL265397 | 0.69 | NT5E (0.39) | BACE1NT5ETLR2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189508-B | Naphthenic base nitrile Pyrazolopyridine ketone as JANUS kinase inhibitor | 默沙东公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105189508-A | Cycloalkyl nitrile pyrazolo pyridones as JANUS kinase inhibitors | MERCK SHARP & DOHME | 2015-12-23 | — | — | CN | disclosed |