Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | RARB | P10826 | 5/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.38 |
| ▸ | THRA | P10827 | 2/20 | 0.38 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL177445 | 0.79 | THRA (0.47) | ALDH1A1FAAHTHRBRARBTHRA | |
| SCHEMBL6880352 | 0.77 | MT-CO2 (0.46) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL5755875 | 0.75 | HPGD (0.44) | ALDH1A1FAAHTHRBRARBTHRA | |
| SCHEMBL28781248 | 0.72 | THRA (0.50) | ALDH1A1FAAHTHRBRARBTHRA | |
| SCHEMBL8293510 | 0.71 | RARB (0.55) | ALDH1A1FAAHTHRBRARBTHRA | |
| SCHEMBL15807642 | 0.71 | KCNH2 (0.47) | KCNH2THRBMEN1MAPTKMT2A | |
| SCHEMBL8697616 | 0.71 | S1PR2 (0.42) | ALDH1A1FAAHTHRBRARBTHRA | |
| SCHEMBL2133261 | 0.70 | GABRA5 (0.39) | — | |
| SCHEMBL6878251 | 0.69 | RAB9A (0.39) | ALDH1A1THRBS1PR3MEN1MAPT | |
| SCHEMBL978403 | 0.69 | GPR119 (0.43) | — |
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 |