Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.32 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL15939449 | 0.84 | GPR119 (0.46) | P2RX7GPR119BCDIN3DFAAH | |
| SCHEMBL14764140 | 0.79 | KDM5A (0.41) | JAK3BACE1CTSDROCK2ELANE | |
| SCHEMBL16012151 | 0.79 | FAAH (0.50) | GPR119BCDIN3DFAAH | |
| SCHEMBL15939993 | 0.76 | L3MBTL1 (0.36) | JAK3L3MBTL1HDAC1HDAC2ENPP2 | |
| SCHEMBL14764015 | 0.75 | KDM5A (0.44) | JAK3GPR119BACE1CTSDROCK2 | |
| SCHEMBL15645613 | 0.74 | BACE1 (0.48) | GPR119BCDIN3DBACE1FAAH | |
| SCHEMBL14764299 | 0.72 | DDB1 (0.41) | JAK3GPR119 | |
| SCHEMBL27869422 | 0.72 | KLKB1 (0.38) | JAK3BACE1CTSDHDAC1HDAC2 | |
| SCHEMBL6974684 | 0.72 | NR1H2 (0.36) | GPR119FAAH | |
| SCHEMBL5258386 | 0.72 | NCF1 (0.40) | GPR119FAAH |
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-2753615-B1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |
| WO-2013034238-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |