Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4453688 | 0.78 | CETP (0.36) | ALDH1A1SMN1; SMN2AURKARPS6KB1KMT2A | |
| SCHEMBL14855272 | 0.76 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTL3MBTL1HCAR3 | |
| SCHEMBL7249303 | 0.75 | NPSR1 (0.43) | ALDH1A1MAPTNPSR1HTT | |
| SCHEMBL6622345 | 0.74 | AAK1 (0.31) | — | |
| SCHEMBL14855451 | 0.72 | MAPT (0.38) | ALDH1A1SMN1; SMN2MAPTGAAMAPK1 | |
| SCHEMBL7039773 | 0.72 | NR1H3 (0.33) | ALDH1A1SMN1; SMN2GAAMAPK1CYP2C19 | |
| SCHEMBL1725199 | 0.71 | MAPT (0.40) | ALDH1A1MAPTHPGDKMT2AHCAR3 | |
| SCHEMBL12544792 | 0.70 | GPR35 (0.33) | ALDH1A1SMN1; SMN2MAPTGAAHPGD | |
| SCHEMBL3247412 | 0.69 | MAPK1 (0.43) | ALDH1A1SMN1; SMN2MAPTMAPK1KMT2A | |
| SCHEMBL5563667 | 0.68 | PTGS2 (0.38) | ALDH1A1GAAHPGDKMT2A |
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-1474416-A1 | DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003066623-A1 | DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-08-14 | — | — | WO | disclosed |