Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.67 |
| ▸ | BLM | P54132 | 2/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.63 |
| ▸ | ACHE | P22303 | 2/20 | 0.63 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | CNR1 | P21554 | 1/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.63 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.63 |
| ▸ | MC3R | P41968 | 1/20 | 0.63 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.63 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.63 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.63 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.63 |
| ▸ | PDE4A | P27815 | 3/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.63 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7315040 | 0.91 | ADORA2B (0.67) | ADORA2BBLMGLAADORA2AACHE | |
| Bisdionin B SCHEMBL29896692 | 0.90 | ADORA2B (0.74) | ADORA2BBLMGLAADORA2AACHE | |
| SCHEMBL7305272 | 0.90 | ADORA2B (0.70) | ADORA2BBLMGLAADORA2AACHE | |
| SCHEMBL7315268 | 0.88 | ADORA2B (0.68) | ADORA2BBLMGLAADORA2AACHE | |
| SCHEMBL7316168 | 0.88 | ADORA2B (0.68) | ADORA2BBLMGLAADORA2AACHE | |
| SCHEMBL8013542 | 0.88 | ADORA2B (0.68) | ADORA2BBLMGLAADORA2AACHE | |
| Bisdionin D SCHEMBL16120988 | 0.87 | ADORA2B (0.79) | ADORA2BBLMGLAADORA2AACHE | |
| Bisdionin C SCHEMBL10018600 | 0.87 | CHIT1 (0.75) | ADORA2BBLMGLAADORA2AACHE | |
| SCHEMBL315740 | 0.86 | ADORA2B (0.82) | ADORA2BBLMGLAADORA2AACHE | |
| SCHEMBL7384278 | 0.86 | ADORA2B (0.68) | ADORA2BBLMGLAADORA2AACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-4493837-A | VASODILATORS, ANALGESICS, NEUROLEPTIC AGENTS | EISAI CO., LTD. (JP) | 1985-01-15 | — | — | US | disclosed |
| EP-0087810-A1 | Antiphlogistic/antipyretic/analgesic pharmaceutical compositions containing theophylline derivatives as active ingredient | Eisai Co., Ltd. (JP) | 1983-09-07 | — | — | EP | disclosed |