Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | PDE4A | P27815 | 4/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.36 |
| ▸ | TNF | P01375 | 2/20 | 0.36 |
| ▸ | RGS4 | P49798 | 3/20 | 0.32 |
| ▸ | RGS8 | P57771 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8004119 | 0.96 | TNF (0.40) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31337271 | 0.67 | CYP1A2 (0.36) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8666629 | 0.64 | TNF (0.36) | TNFADORA2BALDH1A1LMNA | |
| SCHEMBL13223313 | 0.62 | RGS4 (0.52) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15745727 | 0.62 | RGS4 (0.52) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9162057 | 0.62 | TNF (0.31) | TNF | |
| SCHEMBL31337358 | 0.61 | CYP1A2 (0.36) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL838929 | 0.59 | RGS4 (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15946188 | 0.59 | RGS4 (0.48) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17394620 | 0.58 | PDE4A (0.45) | ADORA2APDE4APDE4BPDE4CPDE4D |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719267-B1 | SECOND MESSENGER CELL SIGNALING INHIBITORS | CELL THERAPEUTICS INC (US) | 2002-07-31 | — | — | EP | disclosed |
| 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-6020337-A | Electronegative-substituted long chain xanthine compounds | CELL THERAPEUTICS, INC. (US) | 2000-02-01 | — | — | US | disclosed |
| CN-1040980-C | Second messenger cell signaling inhibitors | CELL THERAPEUTICS INC (US) | 1998-12-02 | — | — | CN | disclosed |
| US-5824677-A | SUBSTITUTED WITH HETEROCYCLIC RING, ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE | CELL THERAPEUTICS, INC. (US) | 1998-10-20 | — | — | 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 |
| US-5777117-A | ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE, CYTOTOXIC AGENTS; MICROBIOCIDES, FUNGICIDES | CELL THERAPEUTICS, INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5750575-A | ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS; CYTOTOXIC AGENTS; MICROBIOCIDES; FUNGICIDES | CELL THERAPEUTICS, INC. (US) | 1998-05-12 | — | — | US | disclosed |
| US-5641783-A | ANTIINFLAMMATORY OR IMMUNOSUPPRESSIVE AGENTS | CELL THERAPEUTICS, INC. (US) | 1997-06-24 | — | — | US | disclosed |
| EP-0719267-A1 | SECOND MESSENGER CELL SIGNALING INHIBITORS | CELL THERAPEUTICS, INC. (US) | 1996-07-03 | — | — | EP | disclosed |
| EP-0719267-A4 | SECOND MESSENGER CELL SIGNALING INHIBITORS | CELL THERAPEUTICS INC (US) | 1996-02-16 | — | — | EP | disclosed |
| WO-1994022863-A1 | SECOND MESSENGER CELL SIGNALING INHIBITORS | CELL THERAPEUTICS, INC. (US) | 1994-10-13 | — | — | WO | disclosed |