Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | KCNQ3 | O43525 | 10/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 10/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 8/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 7/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27496401 | 0.98 | GRM4 (0.44) | GRM4KCNQ3KCNQ2TNFKCNQ1 | |
| SCHEMBL27480837 | 0.81 | FDFT1 (0.38) | GRM4 | |
| SCHEMBL16881725 | 0.75 | GRM4 (0.42) | GRM4KCNQ3KCNQ2TNFKCNQ1 | |
| SCHEMBL27515260 | 0.75 | GRM4 (0.35) | GRM4CDK1POLB | |
| SCHEMBL27482006 | 0.73 | GRM4 (0.37) | GRM4PIK3CA | |
| SCHEMBL27497089 | 0.73 | GRM4 (0.37) | GRM4KCNQ3KCNQ2 | |
| SCHEMBL27482710 | 0.73 | GRM4 (0.37) | GRM4ALDH1A1 | |
| SCHEMBL30423290 | 0.73 | KCNQ3 (0.54) | GRM4KCNQ3KCNQ2TNFKCNQ1 | |
| SCHEMBL27482706 | 0.73 | ADRA2A (0.47) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27481629 | 0.72 | GRM4 (0.36) | GRM4PIK3CA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1192028-C | Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments | ABBOTT INC (US) | 2005-03-09 | — | — | CN | claimed |
| CN-1361774-A | Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments | ABBOTT INC (US) | 2002-07-31 | — | — | CN | claimed |
| CN-1636990-A | Heterocyclic substituted aminoazacycles useful as central nervous system agents | ABBOTT LAB (US) | 2005-07-13 | — | — | CN | disclosed |
| CN-1192028-C | Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments | ABBOTT INC (US) | 2005-03-09 | — | — | CN | disclosed |
| CN-1361774-A | Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments | ABBOTT INC (US) | 2002-07-31 | — | — | CN | disclosed |