Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 5/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7606573 | 0.96 | ADORA2A (0.36) | TNFPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL8666629 | 0.68 | TNF (0.36) | TNFADORA2BLMNATP53HTT | |
| Iodide SCHEMBL28472258 | 0.66 | TNF (0.47) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31337271 | 0.63 | CYP1A2 (0.36) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| Iodide SCHEMBL28469281 | 0.63 | PDE4A (0.32) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15946188 | 0.61 | RGS4 (0.48) | TNFPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL6239660 | 0.60 | RGS4 (0.50) | TNFPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL10336854 | 0.59 | TNF (0.50) | TNFPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL12787622 | 0.59 | MGLL (0.52) | TNFADORA2BLMNATP53HTT | |
| SCHEMBL4963710 | 0.59 | MGLL (0.52) | TNFADORA2BLMNATP53HTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6103730-A | Amine substituted compounds | CELL THERAPEUTICS, INC. (US) | 2000-08-15 | — | — | US | disclosed |
| 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-5807861-A | Amine substituted xanthinyl compounds | CELL THERAPEUTICS, INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5807862-A | Therapeutic compounds containing pyrimidinyl moieties | CELL THERAPEUTICS, INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5801182-A | Amine substituted compounds | CELL THERAPEUTICS, INC. (US) | 1998-09-01 | — | — | US | disclosed |