Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31611857 | 0.89 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14097153 | 0.81 | ALDH1A1 (0.63) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL15430483 | 0.81 | DEGS1 (0.50) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL1100407 | 0.81 | DEGS1 (0.50) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL15430481 | 0.81 | DEGS1 (0.50) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL16229142 | 0.81 | DEGS1 (0.50) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL22751873 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2359239 | 0.80 | MAPT (0.56) | ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1550780 | 0.80 | SLC6A4 (0.61) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20192325 | 0.80 | SLC6A3 (0.57) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9585850-B2 | Methods of treatment using arylcyclopropylamine compounds | DUKE UNIVERSITY (US) | 2017-03-07 | — | — | US | disclosed |
| EP-2082740-A2 | Use of imidazole derivatives as MDR modulators | Taiji Biomedical, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |