Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL5865495 | 0.76 | CYP19A1 (0.38) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| SCHEMBL5864777 | 0.73 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| Hydrochloric Acid SCHEMBL5865474 | 0.72 | CYP11B1 (0.41) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| SCHEMBL5865220 | 0.71 | GRIN2D (0.47) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| SCHEMBL4515654 | 0.71 | CYP11B1 (0.53) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| SCHEMBL3151894 | 0.71 | NCF1 (0.48) | NCF1KCNH2SCN5ACNR1 | |
| Fumaric Acid SCHEMBL5865493 | 0.68 | CYP19A1 (0.40) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| Fumaric Acid SCHEMBL5865497 | 0.68 | CYP19A1 (0.40) | CYP11B1CYP11B2CYP19A1NISCHPTGS2 | |
| SCHEMBL19264965 | 0.68 | TDP1 (0.45) | NCF1KDM1AKCNH2SCN5ACNR1 | |
| SCHEMBL5865255 | 0.67 | ALDH1A1 (0.45) | CYP11B1CYP11B2CYP19A1NISCHGPR84 |
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-7034044-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2006-04-25 | — | — | US | claimed |