Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 2/20 | 0.42 |
| ▸ | FADS1 | O60427 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL21772619 | 0.90 | TRPA1 (0.49) | SLC2A1FADS1TRPA1PIK3CDCYP2C9 | |
| SCHEMBL21772472 | 0.86 | TRPA1 (0.42) | FADS1KDM4EHPGDSMN1; SMN2TRPA1 | |
| SCHEMBL21772794 | 0.81 | FADS1 (0.42) | SLC2A1FADS1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL21772784 | 0.80 | PIK3CD (0.49) | SLC2A1FADS1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL2715655 | 0.76 | PIK3CD (0.44) | SLC2A1FADS1TRPA1PIK3CDCYP2C9 | |
| SCHEMBL890530 | 0.74 | PIK3CD (0.57) | KDM4EHPGDPIK3CDCYP1A2CYP2C19 | |
| SCHEMBL21772429 | 0.74 | IDO1 (0.41) | PIK3CDCYP2C9CYP1A2KCNH2 | |
| SCHEMBL21772792 | 0.72 | ALDH1A1 (0.41) | SLC2A1FADS1KDM4ECYP2C9CYP1A2 | |
| SCHEMBL3143452 | 0.72 | ALDH1A1 (0.41) | SLC2A1FADS1KDM4ECYP2C9CYP1A2 | |
| SCHEMBL12357166 | 0.71 | MDM2 (0.45) | SLC2A1KDM4EHPGDSMN1; SMN2TRPA1 |
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-3828184-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR | Medshine Discovery Inc. (CN) | 2021-06-02 | — | — | EP | disclosed |
| WO-2020038394-A1 | PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR | 南京明德新药研发有限公司 | 2020-02-27 | — | — | WO | disclosed |