Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.30 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | RGS4 | P49798 | 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 | |
|---|---|---|---|---|
| SCHEMBL4285918 | 0.95 | ALOX5 (0.38) | CYP19A1KDM4ELMNACYP2C19ALOX5 | |
| SCHEMBL4284253 | 0.73 | PTGS1 (0.37) | KDM4ELMNACYP2C19MAPTTDP1 | |
| SCHEMBL5597442 | 0.70 | CRBN (0.41) | KDM4ELMNACYP2C19TSHRNPSR1 | |
| SCHEMBL194067 | 0.66 | CRBN (0.46) | KDM4ELMNAALOX5TSHRCRBN | |
| SCHEMBL11383117 | 0.63 | PTGS1 (0.46) | KDM4ELMNACYP2C19ALOX5CRBN | |
| SCHEMBL1364147 | 0.63 | SMN1; SMN2 (0.40) | MAPTATMSMN1; SMN2GAATP53 | |
| SCHEMBL2161839 | 0.63 | MAPT (0.49) | CYP19A1KDM4ELMNACYP2C19MAPT | |
| Succinimide SCHEMBL7039031 | 0.62 | CRBN (0.61) | CYP19A1KDM4ELMNACYP2C19ALOX5 | |
| Succinimide SCHEMBL4639601 | 0.62 | CRBN (0.61) | CYP19A1KDM4ELMNACYP2C19ALOX5 | |
| Succinimide SCHEMBL27423831 | 0.62 | CRBN (0.61) | CYP19A1KDM4ELMNACYP2C19ALOX5 |
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 |