Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | AADAC | P22760 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6608184 | 0.88 | MAPT (0.42) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL5557016 | 0.86 | AR (0.41) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL27615830 | 0.85 | ALDH1A1 (0.41) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL6608014 | 0.82 | MAPT (0.39) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL27615834 | 0.81 | HCAR3 (0.39) | ALDH1A1CYP3A4LMNACYP1A2CYP2C9 | |
| SCHEMBL27615871 | 0.80 | IDH2 (0.36) | ALDH1A1ARHTTRAB9AIDH2 | |
| SCHEMBL17336846 | 0.79 | MAPT (0.46) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL22636966 | 0.77 | AR (0.42) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL27615854 | 0.77 | MAPT (0.46) | ALDH1A1ARCYP3A4MAPK1CES2 | |
| SCHEMBL27597138 | 0.76 | MAPT (0.44) | ALDH1A1ARCYP3A4MAPK1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100497333-C | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2009-06-10 | — | — | CN | disclosed |
| CN-1633430-A | Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders | HOFFMANN LA ROCHE (CH) | 2005-06-29 | — | — | CN | disclosed |