Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16334449 | 0.82 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL30350667 | 0.82 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL7246626 | 0.82 | PTGDR2 (0.46) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL7253135 | 0.81 | ERN1 (0.46) | ALDH1A1HPGDMAPK1ERN1 | |
| SCHEMBL7248509 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19MAPTHPGD | |
| SCHEMBL5550248 | 0.79 | PTGDR2 (0.57) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL3459019 | 0.78 | PTGDR2 (0.56) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL16146944 | 0.77 | PTGDR2 (0.54) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL7541385 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19PTGDR2MAPT | |
| SCHEMBL15228885 | 0.76 | SMN1; SMN2 (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6566535-B1 | Causing an orthohalogenobenzaldehyde or derivative to react with a propanethiol having an electron-attracting group at its 4- position. | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1184381-A1 | PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-03-06 | — | — | EP | disclosed |