Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL28762819 | 1.00 | IDO1 (0.46) | IDO1AGXTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL439644 | 0.84 | DPP4 (0.47) | RIPK1DPP4DPP7 | |
| SCHEMBL451227 | 0.84 | DPP4 (0.47) | RIPK1DPP4DPP7 | |
| SCHEMBL8227727 | 0.83 | IDO1 (0.48) | IDO1AGXTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18861095 | 0.83 | IDO1 (0.48) | IDO1AGXTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10586294 | 0.82 | IDO1 (0.44) | IDO1AGXTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3904974 | 0.81 | IDO1 (0.43) | IDO1AGXTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17946854 | 0.81 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KDM4ESMN1; SMN2 | |
| SCHEMBL2879127 | 0.81 | PYCR1 (0.44) | KDM4ETYR | |
| SCHEMBL16759007 | 0.81 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KDM4ESMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022261473-A1 | PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-12-15 | — | — | WO | disclosed |
| CN-102056907-B | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2014-12-31 | — | — | CN | disclosed |
| CN-102056907-A | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-05-11 | — | — | CN | disclosed |