Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL16814244 | 0.80 | NQO2 (0.36) | NPSR1PADI4KDM4EALDH1A1NQO2 | |
| SCHEMBL16814364 | 0.78 | SERPINE1 (0.49) | ADORA3ADORA1CDK4CCND1CCNE2 | |
| SCHEMBL16795016 | 0.78 | PARP1 (0.39) | NPSR1PADI4SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16814348 | 0.76 | MDM2 (0.39) | NPSR1PADI4KDM4EALDH1A1NQO2 | |
| SCHEMBL16814487 | 0.76 | NQO2 (0.38) | PADI4NQO2PARP1MAPK14CHEK1 | |
| SCHEMBL16814570 | 0.76 | CYP11B1 (0.57) | NPSR1PADI4SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16794875 | 0.76 | NTRK1 (0.37) | NPSR1PADI4SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16814275 | 0.75 | NQO2 (0.38) | NPSR1PADI4KDM4EALDH1A1NQO2 | |
| SCHEMBL16795035 | 0.75 | NQO2 (0.42) | NPSR1PADI4KDM4EALDH1A1NQO2 | |
| SCHEMBL16794852 | 0.75 | NQO2 (0.38) | NPSR1PADI4KDM4EALDH1A1NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015088564-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |
| WO-2015088564-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |