Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 11/20 | 0.55 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.55 |
| ▸ | MDH1 | P40925 | 2/20 | 0.54 |
| ▸ | MDH2 | P40926 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | BCL6 | P41182 | 1/20 | 0.44 |
| ▸ | BCOR | Q6W2J9 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22452684 | 0.89 | HIF1A (0.52) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453120 | 0.88 | HIF1A (0.67) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453556 | 0.86 | HIF1A (0.56) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453525 | 0.84 | MAPT (0.50) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453225 | 0.82 | HIF1A (0.66) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453555 | 0.82 | HIF1A (0.44) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453542 | 0.81 | HIF1A (0.64) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22452941 | 0.80 | HIF1A (0.40) | HIF1AEPAS1MDH1MDH2MAPT | |
| SCHEMBL22453545 | 0.80 | HPGD (0.52) | HIF1AMAPTNPSR1ALDH1A1HPGD | |
| SCHEMBL22453415 | 0.80 | SERPINE1 (0.53) | HIF1AEPAS1MAPTALDH1A1HPGD |
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 |