Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 7/20 | 0.64 |
| ▸ | ABCC1 | P33527 | 6/20 | 0.64 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11287679 | 0.89 | ABCB1 (0.66) | ABCB1ABCC1KCNMA1NPC1MAPT | |
| SCHEMBL17457463 | 0.85 | ABCB1 (0.69) | ABCB1ABCC1KCNMA1NPC1MAPT | |
| SCHEMBL17457465 | 0.85 | ABCB1 (0.69) | ABCB1ABCC1KCNMA1NPC1MAPT | |
| SCHEMBL29530549 | 0.83 | ABCB1 (0.62) | ABCB1ABCC1KCNMA1NPC1MAPT | |
| SCHEMBL5868784 | 0.83 | ABCB1 (0.62) | ABCB1ABCC1KCNMA1NPC1MAPT | |
| SCHEMBL1980974 | 0.80 | ABCB1 (0.55) | ABCB1ABCC1NPC1MAPTMEN1 | |
| SCHEMBL7467332 | 0.79 | ABCB1 (0.55) | ABCB1ABCC1KCNMA1MAPT | |
| SCHEMBL1663904 | 0.79 | CYP11B1 (0.57) | ABCB1ABCC1MEN1CYP11B1CYP11B2 | |
| SCHEMBL2465121 | 0.79 | ABCB1 (0.57) | ABCB1 | |
| SCHEMBL11224541 | 0.79 | ABCB1 (0.54) | ABCB1ABCC1NPC1MAPTMEN1 |
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-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |