Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7113987 | 0.85 | RXRA (0.35) | RXRALMNAALDH1A1MPIPHOSPHO1 | |
| SCHEMBL6607454 | 0.78 | KMO (0.39) | LMNAMAPTHTTALDH1A1MAPK1 | |
| SCHEMBL17336848 | 0.78 | MAPT (0.36) | LMNAMAPTHTTALDH1A1MAPK1 | |
| SCHEMBL9836534 | 0.73 | MRGPRX4 (0.39) | LMNAMAPTHTTALDH1A1MRGPRX4 | |
| SCHEMBL5558208 | 0.72 | RBP4 (0.36) | — | |
| SCHEMBL312800 | 0.71 | L3MBTL1 (0.53) | RXRAALDH1A1MRGPRX4KDM4EHNF4A | |
| SCHEMBL6623841 | 0.69 | RXRA (0.37) | RXRALMNAMAPTALDH1A1KDM4E | |
| SCHEMBL21497160 | 0.67 | CYP1A2 (0.49) | LMNAMAPTHTTALDH1A1MAPK1 | |
| SCHEMBL311898 | 0.67 | KIF11 (0.48) | RXRAMAPTHTTALDH1A1KDM4E | |
| SCHEMBL30309512 | 0.66 | ALDH1A1 (0.50) | RXRAMAPTHTTALDH1A1MPI |
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 |