Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7420330 | 0.92 | GRM5 (0.42) | GRM5CYP1A2MEN1HTTKMT2A | |
| SCHEMBL7385448 | 0.91 | GRM5 (0.47) | GRM5CYP1A2PTPN11MEN1HTT | |
| SCHEMBL4861899 | 0.83 | GRM5 (0.47) | GRM5CYP1A2MEN1HTTKMT2A | |
| SCHEMBL7388499 | 0.78 | GRM5 (0.39) | GRM5MEN1HTTKMT2A | |
| SCHEMBL15870993 | 0.71 | GRM5 (0.68) | GRM5 | |
| SCHEMBL6063 | 0.71 | — | — | |
| Bromide SCHEMBL5403925 | 0.69 | — | — | |
| SCHEMBL7608425 | 0.69 | — | — | |
| SCHEMBL6273421 | 0.69 | — | — | |
| SCHEMBL7848 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |