Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30732583 | 0.92 | DGKA (0.53) | CA2MAPK1TSHRTDP1CYP3A4 | |
| SCHEMBL17961063 | 0.90 | DGKA (0.55) | CA2MAPK1TSHRSLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL13279164 | 0.88 | CA2 (0.65) | CA2MAPK1TSHRTDP1CYP3A4 | |
| SCHEMBL28042974 | 0.88 | TDP1 (0.55) | CA2MAPK1TSHRTDP1CYP3A4 | |
| SCHEMBL29242738 | 0.88 | GRIK1 (0.49) | CA2MAPK1TSHRTDP1CYP1A2 | |
| SCHEMBL27570319 | 0.87 | CYP3A4 (0.50) | CA2MAPK1TSHRTDP1CYP3A4 | |
| SCHEMBL28934763 | 0.87 | CA2 (0.57) | CA2MAPK1TSHRTDP1CYP3A4 | |
| 2-Ethylhexanoic Acid SCHEMBL29942001 | 0.87 | CA2 (0.62) | CA2MAPK1TSHRTDP1CYP3A4 | |
| 2-Ethylhexanoic Acid SCHEMBL30578809 | 0.86 | CA2 (0.67) | CA2MAPK1TSHRTDP1CYP3A4 | |
| SCHEMBL28562917 | 0.86 | GRIK1 (0.50) | CA2MAPK1TSHRTDP1SLC1A2 |
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-1513848-A4 | METHOD OF TREATING ISCHEMIA REPERFUSION INJURY USING ADENOSINE RECEPTOR ANTAGONISTS | BIOGEN IDEC INC (US) | 2005-11-09 | — | — | EP | disclosed |
| EP-1513848-A2 | METHOD OF TREATING ISCHEMIA REPERFUSION INJURY USING ADENOSINE RECEPTOR ANTAGONISTS | Biogen Idec MA Inc. (US) | 2005-03-16 | — | — | EP | disclosed |
| CN-1187354-C | Adenosine receptor antagonists and methods of making and using the same | BIOGEN INC (US) | 2005-02-02 | — | — | CN | disclosed |
| WO-2003105666-A2 | METHOD OF TREATING ISCHEMIA REPERFUSION INJURY USING ADENOSINE RECEPTOR ANTAGONISTS | BIOGEN, INC. (US) | 2003-12-24 | — | — | WO | disclosed |
| CN-1399636-A | Adenosine receptor antagonists and methods of making and using the same | BIOGEN INC (US) | 2003-02-26 | — | — | CN | disclosed |