Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.62 |
| ▸ | TNF | P01375 | 4/20 | 0.62 |
| ▸ | PDE4A | P27815 | 4/20 | 0.62 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.62 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6785565 | 1.00 | ADORA2B (0.62) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Ammonia Solution, Strong SCHEMBL27840338 | 0.98 | ADORA2B (0.60) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9293740 | 0.95 | ADORA2B (0.62) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8072448 | 0.95 | ADORA2B (0.62) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL9294827 | 0.95 | ADORA2B (0.62) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8378834 | 0.94 | ADORA2B (0.55) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL6777469 | 0.93 | ADORA2B (0.62) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8015355 | 0.92 | ADORA2B (0.63) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8005651 | 0.91 | ADORA2B (0.54) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8378556 | 0.91 | ADORA2B (0.54) | ADORA2BTNFPDE4APDE4BPDE4C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0662834-A4 | NOVEL EPOXIDE-CONTAINING COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1996-04-17 | — | — | EP | claimed |
| EP-0662834-A1 | NOVEL EPOXIDE-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1995-07-19 | — | — | EP | claimed |
| WO-1994006431-A1 | NOVEL EPOXIDE-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-03-31 | — | — | WO | claimed |
| US-6121270-A | N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI | CELL THERAPEUTICS, INC. (US) | 2000-09-19 | — | — | US | disclosed |
| US-5866576-A | COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. | CELL THERAPEUTICS, INC. (US) | 1999-02-02 | — | — | US | disclosed |