Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27615834 | 0.87 | HCAR3 (0.39) | MAPTNPSR1HCAR3KMT2ALMNA | |
| SCHEMBL6641220 | 0.84 | MAPT (0.40) | MAPTNPSR1HCAR3LMNAALDH1A1 | |
| SCHEMBL28754143 | 0.83 | PTGS2 (0.41) | MAPTNPSR1HCAR3KMT2ALMNA | |
| SCHEMBL6609242 | 0.83 | MEN1 (0.47) | MAPTHCAR3KMT2ALMNAALDH1A1 | |
| SCHEMBL6607646 | 0.83 | MAPT (0.45) | MAPTNPSR1HCAR3KMT2AALDH1A1 | |
| SCHEMBL28754179 | 0.82 | MAPT (0.49) | MAPTHCAR3KMT2ALMNAALDH1A1 | |
| SCHEMBL6165541 | 0.82 | MAPT (0.40) | MAPTNPSR1HCAR3KMT2ALMNA | |
| SCHEMBL6608184 | 0.80 | MAPT (0.42) | MAPTNPSR1HCAR3KMT2ALMNA | |
| SCHEMBL5606205 | 0.79 | MAPT (0.49) | MAPTKMT2ALMNAALDH1A1APP | |
| SCHEMBL27615856 | 0.78 | APP (0.42) | MAPTKMT2ALMNAALDH1A1APP |
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-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |