Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM4B | O94953 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28018128 | 0.83 | PARP1 (0.43) | PARP1ALDH1A1FKBP5SCN9AHRH3 | |
| SCHEMBL24880089 | 0.80 | ALDH1A1 (0.37) | ALDH1A1FKBP5HPGDCYP17A1CYP3A4 | |
| SCHEMBL26064901 | 0.70 | HRH3 (0.40) | HRH3HRH4CYP3A4 | |
| SCHEMBL849426 | 0.67 | — | — | |
| SCHEMBL312270 | 0.67 | — | — | |
| SCHEMBL25435625 | 0.67 | ALDH1A1 (0.39) | ALDH1A1FKBP5HPGDHRH3KDM4A | |
| Fluoxidine SCHEMBL1369498 | 0.67 | — | — | |
| Bromide SCHEMBL1938531 | 0.66 | — | — | |
| SCHEMBL22139827 | 0.63 | HPGD (0.50) | PARP1ALDH1A1HPGDPDPK1KDM5B | |
| SCHEMBL1771094 | 0.63 | — | — |
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-104822670-A | 5-phenoxy-3h-pyrimidin-4-one derivatives and their use as HIV reverse transcriptase inhibitors | MERCK SHARP & DOHME | 2015-08-05 | — | — | CN | disclosed |