Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL43499 | 0.81 | CES2 (0.33) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5312917 | 0.71 | NFKB1 (0.47) | NPSR1MAOBNFKB1MAPT | |
| SCHEMBL31069899 | 0.69 | KCNN4 (0.38) | KCNN4KCNE1KCNQ1MAOBALDH1A1 | |
| SCHEMBL7402749 | 0.67 | KCNN4 (0.42) | KCNN4KCNE1KCNQ1ALDH1A1CES2 | |
| SCHEMBL2854055 | 0.67 | NPSR1 (0.53) | NPSR1KCNN4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9448980 | 0.65 | CES2 (0.52) | NPSR1MAOBALDH1A1MEN1HTT | |
| SCHEMBL81292 | 0.64 | NPSR1 (0.48) | NPSR1CYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL15744424 | 0.63 | CCR6 (0.36) | KCNN4KCNE1KCNQ1 | |
| SCHEMBL43431 | 0.62 | CES2 (0.40) | NPSR1CYP1A2CYP2C9CYP2C19CES2 | |
| SCHEMBL29139145 | 0.62 | KCNN4 (0.47) | KCNN4KCNE1KCNQ1ALDH1A1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011157444-A1 | FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-12-22 | — | — | WO | disclosed |