Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 14/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL5562128 | 0.88 | AAK1 (0.44) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL6166045 | 0.82 | AAK1 (0.40) | AAK1LMNASMN1; SMN2CA12CA1 | |
| SCHEMBL3571997 | 0.79 | CA12 (0.41) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL6165854 | 0.79 | PTGER4 (0.44) | AAK1HDAC3HDAC1HDAC2 | |
| SCHEMBL5558131 | 0.78 | AAK1 (0.41) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL3101753 | 0.77 | CA12 (0.38) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL5558047 | 0.76 | CD44 (0.42) | AAK1LMNACA12CA1CA2 | |
| SCHEMBL4208203 | 0.76 | CA12 (0.40) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL2353023 | 0.75 | AAK1 (0.40) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL5562992 | 0.75 | CA12 (0.39) | AAK1CA12CA1CA2CA9 |
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 |