Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.61 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL443408 | 0.87 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3MAPK14ACHE | |
| SCHEMBL413879 | 0.84 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL1691802 | 0.77 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL414728 | 0.76 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL442059 | 0.75 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL413872 | 0.75 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL413590 | 0.75 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL413845 | 0.75 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 | |
| SCHEMBL707002 | 0.75 | SIGMAR1 (0.43) | ACHESIGMAR1L3MBTL1 | |
| SCHEMBL414749 | 0.74 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MAPK14CTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |