Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.37 |
| ▸ | SELE | P16581 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22719935 | 0.89 | KDM4E (0.43) | MAPTSLC6A4ALDH1A1HTR2AKCNH2 | |
| SCHEMBL806363 | 0.88 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3ALDH1A1MAPK1 | |
| SCHEMBL22719576 | 0.84 | ALDH1A1 (0.43) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL29504939 | 0.84 | ALDH1A1 (0.43) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL9860036 | 0.83 | ALDH1A1 (0.45) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL9860062 | 0.79 | ALDH1A1 (0.45) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL11604236 | 0.79 | SLC6A4 (0.54) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL3319650 | 0.79 | MAPT (0.48) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL11602773 | 0.78 | ICAM1 (0.48) | MAPTALDH1A1TDP1L3MBTL1MAOA | |
| SCHEMBL17073074 | 0.78 | MEN1 (0.47) | MAPTSLC6A4SLC6A2SLC6A3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012003642-A1 | FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-01-12 | — | — | WO | disclosed |