Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.67 |
| ▸ | TNF | P01375 | 3/20 | 0.67 |
| ▸ | ACHE | P22303 | 2/20 | 0.67 |
| ▸ | PDE4A | P27815 | 2/20 | 0.67 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.67 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.67 |
| ▸ | USP2 | O75604 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.67 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.64 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305272 | 0.96 | ADORA2B (0.70) | ADORA2BTNFACHEPDE4APDE4B | |
| SCHEMBL7316168 | 0.94 | ADORA2B (0.68) | ADORA2BTNFACHEPDE4APDE4B | |
| SCHEMBL7315268 | 0.94 | ADORA2B (0.68) | ADORA2BTNFACHEPDE4APDE4B | |
| SCHEMBL8013542 | 0.94 | ADORA2B (0.68) | ADORA2BTNFACHEPDE4APDE4B | |
| SCHEMBL7320105 | 0.91 | ADORA2B (0.67) | ADORA2BTNFACHEPDE4APDE4B | |
| Bisdionin D SCHEMBL16120988 | 0.91 | ADORA2B (0.79) | ADORA2BTNFACHEPDE4APDE4B | |
| Bisdionin C SCHEMBL10018600 | 0.91 | CHIT1 (0.75) | ADORA2BTNFACHEPDE4APDE4B | |
| SCHEMBL16120981 | 0.89 | ADORA2B (0.77) | ADORA2BTNFACHEPDE4APDE4B | |
| Bisdionin B SCHEMBL29896692 | 0.88 | ADORA2B (0.74) | ADORA2BTNFACHEPDE4APDE4B | |
| SCHEMBL3523033 | 0.87 | ADORA2B (0.69) | ADORA2BTNFACHEPDE4APDE4B |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55122780-A | — | — | None | — | — | JP | disclosed |
| JP-55122779-A | — | — | None | — | — | JP | disclosed |
| US-4599337-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1986-07-08 | — | — | US | disclosed |
| US-4543254-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1985-09-24 | — | — | US | disclosed |
| US-4542137-A | NONEXPLOSIVE, CARDIOVASCULAR | DR. WILLMAR SCHWABE GMBH & CO. (DE) | 1985-09-17 | — | — | US | disclosed |
| US-4493837-A | VASODILATORS, ANALGESICS, NEUROLEPTIC AGENTS | EISAI CO., LTD. (JP) | 1985-01-15 | — | — | US | disclosed |
| EP-0044927-B1 | ALKYLAMINO-DESOXY-1,4;3,6-DIANHYDRO-HEXITE-NITRATE SUBSTITUTED BY PURINE BASES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS | Dr. Willmar Schwabe GmbH & Co. (DE) | 1984-11-28 | — | — | EP | disclosed |
| EP-0087810-A1 | Antiphlogistic/antipyretic/analgesic pharmaceutical compositions containing theophylline derivatives as active ingredient | Eisai Co., Ltd. (JP) | 1983-09-07 | — | — | EP | disclosed |
| EP-0044927-A1 | Alkylamino-desoxy-1,4;3,6-dianhydro-hexite-nitrate substituted by purine bases, process for their preparation and their pharmaceutical compositions | Dr. Willmar Schwabe GmbH & Co. (DE) | 1982-02-03 | — | — | EP | disclosed |
| JP-S55122779-A | PREPARATION OF THEOBROMINE DERIVATIVE | MARUKO SEIYAKU KK | 1980-09-20 | — | — | JP | disclosed |
| JP-S55122780-A | PREPARATION OF THEOBROMINE DERIVATIVE | MARUKO SEIYAKU KK | 1980-09-20 | — | — | JP | disclosed |