Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 17/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 17/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3421233 | 0.75 | TAS1R3 (0.52) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL10033481 | 0.73 | TAS1R3 (0.50) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL5133204 | 0.73 | TAS1R3 (0.50) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL9683902 | 0.71 | TAS1R3 (0.48) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL25931497 | 0.70 | TAS1R3 (0.47) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL14521585 | 0.70 | TAS1R3 (0.47) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL965259 | 0.70 | — | — | |
| SCHEMBL21157901 | 0.68 | TAS1R3 (0.46) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL965921 | 0.67 | — | — | |
| SCHEMBL20914941 | 0.67 | PLA2G2C (0.51) | TAS1R3TAS1R1CHRM1AKR1A1CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1278735-A1 | 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS | AstraZeneca AB (SE) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001064656-A1 | 2,4,DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS | ASTRAZENECA AB (SE) | 2001-09-07 | — | — | WO | disclosed |