Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 4/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.53 |
| ▸ | PDE4A | P27815 | 3/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.49 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8432861 | 0.96 | TNF (0.56) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL6785565 | 0.90 | ADORA2B (0.62) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL8077198 | 0.90 | ADORA2B (0.62) | TNFADORA2BPDE4APDE4BPDE4C | |
| Ammonia Solution, Strong SCHEMBL27840338 | 0.88 | ADORA2B (0.60) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL8434831 | 0.88 | TNF (0.61) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL8644659 | 0.87 | TNF (0.55) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL9121598 | 0.87 | ADORA2B (0.61) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL8072448 | 0.85 | ADORA2B (0.62) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL9294827 | 0.85 | ADORA2B (0.62) | TNFADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL9293740 | 0.85 | ADORA2B (0.62) | TNFADORA2BPDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| US-6100271-A | Therapeutic compounds containing xanthinyl | CELL THERAPEUTICS, INC. (US) | 2000-08-08 | — | — | US | disclosed |
| US-6043250-A | Methods for using therapeutic compounds containing xanthinyl | CELL THERAPEUTICS, INC. (US) | 2000-03-28 | — | — | US | disclosed |
| US-5807862-A | Therapeutic compounds containing pyrimidinyl moieties | CELL THERAPEUTICS, INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5770595-A | Oxime substituted therapeutic compounds | CELL THERAPEUTICS, INC. (US) | 1998-06-23 | — | — | US | disclosed |
| WO-1995020589-A1 | CELL SIGNALING INHIBITORS | CELL THERAPEUTICS, INC. (US) | 1995-08-03 | — | — | WO | disclosed |