Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDH1 | P40925 | 2/20 | 0.39 |
| ▸ | MDH2 | P40926 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22453252 | 0.90 | HIF1A (0.39) | NPSR1LMNAHTTRCE1HIF1A | |
| SCHEMBL22452674 | 0.89 | CNR2 (0.42) | MDH1MDH2NPSR1LMNAHTT | |
| SCHEMBL22453418 | 0.87 | TAS2R14 (0.41) | MDH1MDH2NPSR1LMNAHTT | |
| SCHEMBL22453410 | 0.84 | CNR2 (0.46) | MDH1MDH2LMNAHIF1AEPAS1 | |
| SCHEMBL22452667 | 0.83 | HIF1A (0.44) | MDH1MDH2NPSR1LMNAHTT | |
| SCHEMBL22453481 | 0.82 | PGR (0.46) | MDH1MDH2NPSR1LMNAHTT | |
| SCHEMBL22452673 | 0.81 | PGR (0.50) | MDH1MDH2NPSR1LMNAHTT | |
| SCHEMBL22453036 | 0.80 | HIF1A (0.36) | NPSR1LMNAHTTHIF1AEPAS1 | |
| SCHEMBL22452670 | 0.79 | LMNA (0.41) | MDH1MDH2NPSR1LMNAHTT | |
| SCHEMBL22453740 | 0.78 | NPSR1 (0.42) | MDH1MDH2NPSR1LMNAHTT |
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 |