Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11999996 | 0.79 | LCK (0.44) | ALDH1A1TP53TSHRNPSR1HPGD | |
| SCHEMBL4568009 | 0.79 | NLRP3 (0.46) | ALDH1A1NPSR1SMN1; SMN2CYP17A1CA12 | |
| SCHEMBL31607898 | 0.78 | HDAC1 (0.46) | TSHRL3MBTL1CYP17A1NAMPT | |
| SCHEMBL4434093 | 0.76 | ABL1 (0.34) | MAPTTDP1 | |
| SCHEMBL4931587 | 0.76 | AAK1 (0.40) | SMN1; SMN2CYP17A1LMNA | |
| SCHEMBL1527518 | 0.75 | GAA (0.39) | TSHRHPGDCYP17A1BRD4KCNQ4 | |
| SCHEMBL22411802 | 0.75 | KCNQ4 (0.41) | CYP17A1POLBBRD4NAMPTKCNQ4 | |
| SCHEMBL18353863 | 0.74 | KMT2A (0.45) | ALDH1A1HPGDSMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL4568018 | 0.74 | NLRP3 (0.55) | ALDH1A1TP53TSHRNPSR1HPGD | |
| SCHEMBL4442403 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TP53TSHRNPSR1HPGD |
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-2132184-A1 | NOVEL PYRIMIDINE DERIVATIVES 698 | AstraZeneca AB (SE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008104754-A1 | NOVEL PYRIMIDINE DERIVATIVES 698 | ASTRAZENECA AB (SE) | 2008-09-04 | — | — | WO | disclosed |