Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PDE4A | P27815 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BRD2 | P25440 | 1/20 | 0.46 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.46 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566277 | 0.76 | MEN1 (0.77) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| SCHEMBL10567572 | 0.76 | MAPK1 (0.64) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| SCHEMBL25286006 | 0.75 | ALDH1A1 (0.71) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| SCHEMBL10394932 | 0.74 | MEN1 (0.69) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| SCHEMBL11400162 | 0.74 | MEN1 (0.69) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| SCHEMBL1495090 | 0.73 | PDE4A (0.76) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| SCHEMBL381684 | 0.71 | PDE4A (0.71) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| Theobromine SCHEMBL3184 | 0.70 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| Theobromine SCHEMBL11599459 | 0.70 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22ALDH1A1MEN1 | |
| Theobromine SCHEMBL1690622 | 0.70 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-56045476-A | — | — | None | — | — | JP | disclosed |
| JP-S5645476-A | 3-METHYL-7-(5'-HEXYNYL)XANTHINE AND PREPARATION | SHIRATORI SEIYAKU KK | 1981-04-25 | — | — | JP | disclosed |