Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
| ▸ | SCN7A | Q01118 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7336394 | 0.81 | CAMK2A (0.41) | PTGS2KDM4EPTGESALOX5PSEN1 | |
| SCHEMBL7332593 | 0.81 | CYP1A2 (0.40) | PTGS2ALDH1A1CYP1A2CYP2C9KDM4E | |
| SCHEMBL8095117 | 0.80 | SMN1; SMN2 (0.47) | ALDH1A1CYP1A2CYP2C9HTTL3MBTL1 | |
| SCHEMBL8081321 | 0.77 | MAOB (0.65) | MAPTHTTL3MBTL1MAOB | |
| SCHEMBL17859344 | 0.74 | LMNA (0.60) | ALDH1A1CYP1A2CYP2C9KDM4EMAPT | |
| SCHEMBL7345338 | 0.74 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C9KDM4ENPSR1 | |
| SCHEMBL1432938 | 0.71 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP2C9KDM4ENPSR1 | |
| SCHEMBL7334312 | 0.71 | PDE4A (0.42) | PTGS2CYP2C9CHRM5NPSR1MAPT | |
| SCHEMBL5598667 | 0.70 | RAB9A (0.58) | PTGS2ALDH1A1MAPTL3MBTL1MAOB | |
| SCHEMBL5310793 | 0.70 | MEN1 (0.70) | ALDH1A1NPSR1HTTL3MBTL1MAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |