Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL25779438 | 1.00 | CYP1A2 (0.37) | CYP1A2ALDH1A1TDP1KDM4EGAA | |
| SCHEMBL25779493 | 1.00 | CYP1A2 (0.37) | CYP1A2ALDH1A1TDP1KDM4EGAA | |
| SCHEMBL18781636 | 0.96 | ALDH1A1 (0.34) | CYP1A2ALDH1A1TDP1KDM4EGAA | |
| SCHEMBL24731320 | 0.87 | ALDH1A1 (0.39) | ALDH1A1TDP1KDM4EGAAHPGD | |
| SCHEMBL19508493 | 0.85 | CYP1A2 (0.31) | CYP1A2SIGMAR1 | |
| SCHEMBL23735883 | 0.83 | CYP1A2 (0.48) | CYP1A2ALDH1A1TDP1SIGMAR1 | |
| SCHEMBL5665365 | 0.82 | CYP1A2 (0.39) | CYP1A2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL19525730 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EGAAHPGD | |
| SCHEMBL25568576 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EGAAHPGD | |
| SCHEMBL25568569 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EGAAHPGD |
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-2020033490-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-02-13 | — | — | WO | disclosed |