Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12835720 | 0.83 | GRM1 (0.47) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| SCHEMBL1514381 | 0.83 | GRM1 (0.47) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| Hydrochloric Acid SCHEMBL1514298 | 0.82 | GRM1 (0.46) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| SCHEMBL29907658 | 0.80 | CYP2D6 (0.47) | GRM1CYP3A4CYP2D6ELANE | |
| SCHEMBL23702949 | 0.77 | AR (0.55) | GRM1CYP3A4ARKDM4ECHUK | |
| SCHEMBL23708047 | 0.77 | AR (0.55) | GRM1CYP3A4ARKDM4ECHUK | |
| SCHEMBL29994527 | 0.77 | AR (0.55) | GRM1CYP3A4ARKDM4ECHUK | |
| SCHEMBL23708107 | 0.77 | AR (0.55) | GRM1CYP3A4ARKDM4ECHUK | |
| SCHEMBL3288371 | 0.77 | KDM4E (0.62) | GRM1KCNMA1ARKDM4ERECQL | |
| SCHEMBL21722473 | 0.77 | KDM4E (0.47) | GRM1CYP3A4CYP2D6KCNMA1AR |
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 |
|---|---|---|---|---|---|---|---|
| CN-103917534-A | Carbamate/urea derivatives containing piperidine and piperazine rings as H3 receptor inhibitors | NOVARTIS AG | 2014-07-09 | — | — | CN | disclosed |