Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL5204160 | 0.90 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C19ALOX5PTGDR2 | |
| SCHEMBL7543270 | 0.88 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19ALOX5PTGDR2 | |
| SCHEMBL7543969 | 0.87 | EGFR (0.41) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL3458395 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19ALOX5PTGDR2 | |
| SCHEMBL7541400 | 0.84 | PTGDR2 (0.46) | ALDH1A1PTGDR2MAPTKMT2AMEN1 | |
| SCHEMBL5207046 | 0.84 | PTGDR2 (0.39) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL5549984 | 0.81 | PTGDR2 (0.45) | ALDH1A1PTGDR2MAPTKMT2AMEN1 | |
| SCHEMBL5551206 | 0.80 | PTGDR2 (0.44) | ALDH1A1PTGDR2MAPTKMT2AMEN1 | |
| SCHEMBL5550248 | 0.80 | PTGDR2 (0.57) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL3459019 | 0.79 | PTGDR2 (0.56) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1211239-A1 | PROCESS FOR THE PREPARATION OF 2,3-DIHYDROAZEPINE COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2002-06-05 | — | — | EP | disclosed |