Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.39 |
| ▸ | MDH1 | P40925 | 2/20 | 0.39 |
| ▸ | MDH2 | P40926 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.37 |
| ▸ | IDH1 | O75874 | 4/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | SERPINE1 | P05121 | 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 | |
|---|---|---|---|---|
| SCHEMBL22452614 | 0.87 | EPHX2 (0.41) | NPC1EPHX2MDH1MDH2HIF1A | |
| SCHEMBL22452612 | 0.85 | MAPT (0.46) | NPC1EPHX2MDH1MDH2HIF1A | |
| SCHEMBL22452497 | 0.84 | SERPINE1 (0.48) | NPC1EPHX2AKR1C3AKR1C2SERPINE1 | |
| SCHEMBL22452483 | 0.81 | MAPT (0.44) | NPC1EPHX2MDH1MDH2HIF1A | |
| SCHEMBL22452484 | 0.77 | TAS2R14 (0.48) | NPC1AKR1C3AKR1C2SERPINE1 | |
| SCHEMBL22452617 | 0.77 | TAS2R14 (0.44) | EPHX2MDH1MDH2HIF1AAKR1C3 | |
| SCHEMBL22452503 | 0.77 | MAPT (0.58) | NPC1EPHX2MDH1MDH2HIF1A | |
| SCHEMBL22452485 | 0.76 | EPHX2 (0.52) | NPC1EPHX2HIF1AAKR1C3AKR1C2 | |
| SCHEMBL22452501 | 0.76 | MAPT (0.55) | NPC1EPHX2MDH1MDH2HIF1A | |
| SCHEMBL22452492 | 0.76 | TAS2R14 (0.56) | EPHX2HIF1AAKR1C3AKR1C2EPAS1 |
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 |