Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6607932 | 0.83 | LMNA (0.35) | AAK1TLR7LMNAPOLBAR | |
| SCHEMBL6879592 | 0.78 | NR1H2 (0.39) | LMNAPOLBRXRANR1H2NR1H3 | |
| SCHEMBL17336857 | 0.78 | LMNA (0.36) | LMNAPOLBRXRANR1H2NR1H3 | |
| SCHEMBL6879948 | 0.78 | KIF11 (0.40) | LMNAPOLBRXRANR1H2NR1H3 | |
| SCHEMBL6879931 | 0.76 | MRGPRX4 (0.37) | LMNAPOLBRXRANR1H2NR1H3 | |
| SCHEMBL6878671 | 0.75 | LMNA (0.36) | LMNAPOLBARRXRANR1H2 | |
| SCHEMBL6623841 | 0.75 | RXRA (0.37) | AAK1LMNAPOLBRXRANR1H2 | |
| SCHEMBL6877992 | 0.75 | POLQ (0.37) | LMNAPOLBARRXRANR1H2 | |
| SCHEMBL6881686 | 0.74 | KDR (0.41) | LMNA | |
| SCHEMBL4563632 | 0.74 | AAK1 (0.35) | AAK1LMNAPOLBHTTALDH1A1 |
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 |