Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649072 | 0.83 | SLC6A3 (0.49) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13093211 | 0.83 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13093193 | 0.83 | SLC6A3 (0.55) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13093030 | 0.83 | SLC6A3 (0.55) | SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8726215 | 0.82 | SLC6A3 (0.48) | SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8726217 | 0.82 | SLC6A3 (0.48) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13093203 | 0.82 | HTT (0.47) | TP53MDM2SLC6A3SLC9A1SLC6A2 | |
| SCHEMBL23095941 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL7356872 | 0.79 | SLC6A4 (0.55) | SLC6A3SLC6A4 | |
| SCHEMBL2903921 | 0.79 | SLC6A4 (0.55) | SLC6A3SLC6A4 |
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-2010123006-A1 | PYRROLIDINE COMPOUND | 武田薬品工業株式会社 (JP) | 2010-10-28 | — | — | WO | disclosed |