Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 3/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21995507 | 0.67 | MMP2 (0.48) | MMP13NPC1 | |
| SCHEMBL9118926 | 0.67 | MMP13 (0.38) | DDB1CRBNMMP13GAAKDM4E | |
| SCHEMBL746783 | 0.65 | CRBN (0.66) | DDB1CRBNALOX5G6PDALOX15 | |
| SCHEMBL1461676 | 0.65 | AR (0.47) | MMP13GAAALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL5597442 | 0.64 | CRBN (0.41) | CRBNKDM4ECYP2C19 | |
| SCHEMBL25249651 | 0.64 | MMP13 (0.46) | MMP13ALOX12GAAMAPTBACE1 | |
| SCHEMBL4290242 | 0.64 | MEN1 (0.44) | GAAKDM4EMAPTTDP1ALDH1A1 | |
| SCHEMBL2544529 | 0.64 | MMP13 (0.46) | MMP13ALOX12GAAMAPTBACE1 | |
| SCHEMBL11849406 | 0.64 | CRBN (0.63) | DDB1CRBNALOX5G6PDALOX15 | |
| SCHEMBL4285496 | 0.64 | TOP2A (0.34) | CRBNPTGS1KDM4EMAPTTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009157938-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER | CV THERAPEUTICS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |
| EP-1444233-A2 | A 2B? ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003042214-A2 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2003-05-22 | — | — | WO | disclosed |