Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 5/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.45 |
| ▸ | DHODH | Q02127 | 6/20 | 0.44 |
| ▸ | MPO | P05164 | 3/20 | 0.39 |
| ▸ | LIPC | P11150 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22452484 | 0.87 | TAS2R14 (0.48) | TAS2R14AKR1C3AKR1C2DHODHMPO | |
| SCHEMBL22452497 | 0.78 | SERPINE1 (0.48) | TAS2R14AKR1C3AKR1C2DHODHMPO | |
| SCHEMBL22452614 | 0.78 | EPHX2 (0.41) | TAS2R14AKR1C3AKR1C2DHODH | |
| SCHEMBL22452492 | 0.74 | TAS2R14 (0.56) | TAS2R14AKR1C3AKR1C2ADRA2BADRA2C | |
| SCHEMBL22453451 | 0.74 | TAS2R14 (0.47) | TAS2R14AKR1C3AKR1C2DHODHADRA2B | |
| SCHEMBL22453521 | 0.71 | EPHX2 (0.47) | TAS2R14AKR1C3AKR1C2DHODH | |
| SCHEMBL22452500 | 0.69 | TAS2R14 (0.53) | TAS2R14AKR1C3AKR1C2MPOADRA2B | |
| SCHEMBL22452612 | 0.69 | MAPT (0.46) | TAS2R14ADRA2BADRA2C | |
| SCHEMBL9593414 | 0.68 | AKR1C3 (0.74) | AKR1C3AKR1C2DHODH | |
| SCHEMBL22453523 | 0.67 | ALDH1A1 (0.41) | AKR1C3AKR1C2 |
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 |