Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453372 | 0.82 | GAA (0.49) | ALDH1A1ALOX15TDP1SLC6A2SLC6A4 | |
| SCHEMBL790114 | 0.78 | BACE1 (0.47) | ALDH1A1TDP1CYP3A4HDAC1HDAC2 | |
| SCHEMBL25630463 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4HDAC1HDAC2 | |
| SCHEMBL3786337 | 0.74 | SLC6A2 (0.49) | ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23609452 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ALOX15TDP1CYP3A4THRB | |
| SCHEMBL29973055 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ALOX15TDP1CYP3A4THRB | |
| SCHEMBL22453375 | 0.74 | KDM1A (0.40) | ALDH1A1ALOX15TDP1SLC6A2SLC6A4 | |
| SCHEMBL3781164 | 0.73 | SLC6A2 (0.50) | ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22298075 | 0.73 | CYP3A4 (0.45) | ALDH1A1TDP1CYP3A4HDAC1HDAC2 | |
| SCHEMBL22453370 | 0.72 | BACE1 (0.36) | SLC6A2SLC6A4SLC6A3KCNH2HDAC1 |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |