Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ4 | P56696 | 3/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL23093133 | 0.85 | CNR2 (0.43) | KCNQ4KCNQ5CYP17A1CNR2CYP1A2 | |
| SCHEMBL19930248 | 0.84 | MAPT (0.43) | KCNQ4KCNQ5MAPT | |
| SCHEMBL20080090 | 0.81 | KCNQ4 (0.43) | KCNQ4KCNQ5CYP17A1MAPK14CNR2 | |
| SCHEMBL6932894 | 0.79 | CYP17A1 (0.54) | CYP17A1MAPK14PPARGPPARADRD2 | |
| SCHEMBL24253781 | 0.77 | NQO2 (0.45) | KCNQ4KCNQ5CYP17A1CNR2CYP1A2 | |
| SCHEMBL28000271 | 0.77 | CYP3A4 (0.48) | CYP17A1DRD2CYP2C19RXFP1HDAC1 | |
| SCHEMBL29420360 | 0.77 | CYP3A4 (0.48) | CYP17A1DRD2CYP2C19RXFP1HDAC1 | |
| SCHEMBL23093365 | 0.76 | KCNQ4 (0.41) | KCNQ4KCNQ5CYP17A1MAPK14CNR2 | |
| SCHEMBL21442757 | 0.76 | KCNQ4 (0.49) | KCNQ4KCNQ5CYP17A1CNR2CYP1A2 | |
| SCHEMBL21734883 | 0.76 | IDO1 (0.44) | CYP2C9MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3290419-B1 | FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) | 2019-08-07 | — | — | EP | disclosed |
| EP-3312179-B1 | FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR | NANJING SANHOME PHARMACEUTICAL CO LTD (CN) | 2019-07-10 | — | — | EP | disclosed |
| EP-3312179-A1 | FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-04-25 | — | — | EP | disclosed |
| EP-3290419-A1 | FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-03-07 | — | — | EP | disclosed |