Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.76 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28662 | 0.87 | CYP3A4 (1.00) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL10799429 | 0.80 | CYP3A4 (0.84) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL18368139 | 0.80 | CYP3A4 (0.84) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL18194710 | 0.78 | CYP3A4 (0.80) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL29002996 | 0.77 | CYP3A4 (0.70) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL10997976 | 0.77 | CYP3A4 (0.79) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL24669059 | 0.76 | CYP3A4 (0.76) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL9246057 | 0.76 | CYP3A4 (0.76) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL20737987 | 0.76 | CYP3A4 (0.76) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL10804048 | 0.76 | CYP3A4 (0.76) | CYP3A4NPSR1KMT2ASMN1; SMN2CYP1A2 |
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-3426705-B1 | POLYUNSATURATED COMPOUND FOR CURING FLUOROELASTOMER COMPOSITIONS | SOLVAY SPECIALTY POLYMERS IT (IT) | 2019-12-18 | — | — | EP | disclosed |