Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16030521 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2 | |
| SCHEMBL2670234 | 0.78 | PSEN1 (0.40) | SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2 | |
| SCHEMBL2670305 | 0.78 | PSEN1 (0.40) | SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2 | |
| SCHEMBL16031446 | 0.78 | PSEN1 (0.40) | SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2 | |
| SCHEMBL4167606 | 0.78 | SLC6A1 (0.35) | CYP2D6LMNATSHR | |
| SCHEMBL20533049 | 0.77 | SLC6A2 (0.30) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL27212521 | 0.77 | SLC6A2 (0.30) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL20533046 | 0.77 | SLC6A2 (0.30) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL22235536 | 0.77 | SLC6A2 (0.30) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL27230538 | 0.77 | SLC6A2 (0.30) | SLC6A2SLC6A4SLC6A3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |