Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | TKT | P29401 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.40 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.40 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.40 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12224352 | 0.81 | NFKB1 (0.50) | DAOMEN1KMT2ATRPV4TKT | |
| SCHEMBL18737245 | 0.80 | RAB9A (0.48) | DAOMEN1KMT2ATRPV4TKT | |
| SCHEMBL297140 | 0.80 | KDM1A (0.50) | DAOTRPV4TKTCYP3A4CYP3A5 | |
| SCHEMBL15132153 | 0.79 | DAO (0.46) | DAOMEN1KMT2ATRPV4TKT | |
| SCHEMBL21266578 | 0.79 | RAB9A (0.50) | DAOMEN1KMT2ATRPV4TKT | |
| SCHEMBL991269 | 0.78 | DAO (0.48) | DAOTRPV4TKTPLAAT3PLAAT5 | |
| SCHEMBL5657097 | 0.78 | DAO (0.48) | DAOTRPV4TKTPLAAT3PLAAT5 | |
| SCHEMBL14028936 | 0.78 | TKT (0.49) | DAOMEN1KMT2ATRPV4TKT | |
| SCHEMBL31067892 | 0.78 | TKT (0.49) | DAOMEN1KMT2ATRPV4TKT | |
| SCHEMBL3851699 | 0.78 | DAO (0.50) | DAOMEN1KMT2ATRPV4TKT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3558965-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-10-30 | — | — | EP | claimed |
| CN-110248933-A | Novel quinoline and isoquinoline derivatives for the treatment of pain and pain related disorders | 埃斯特韦制药股份公司 | 2019-09-17 | — | — | CN | claimed |
| WO-2018115064-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-06-28 | — | — | WO | claimed |
| EP-3558965-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-10-30 | — | — | EP | disclosed |
| CN-110248933-A | Novel quinoline and isoquinoline derivatives for the treatment of pain and pain related disorders | 埃斯特韦制药股份公司 | 2019-09-17 | — | — | CN | disclosed |
| WO-2018115064-A1 | NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-06-28 | — | — | WO | disclosed |