Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | RET | P07949 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 7/20 | 0.40 |
| ▸ | YES1 | P07947 | 1/20 | 0.39 |
| ▸ | FGR | P09769 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | PRKDC | P78527 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HCK | P08631 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21293809 | 0.82 | ADORA2A (0.48) | ADORA2ARETADORA2BADORA1HDAC1 | |
| SCHEMBL21851263 | 0.82 | ADORA2A (0.51) | ADORA2ARETADORA2BADORA1HDAC1 | |
| SCHEMBL25678087 | 0.78 | RET (0.52) | ADORA2ARETSRCKDRPIK3CD | |
| SCHEMBL15779787 | 0.78 | RET (0.52) | ADORA2ARETHDAC1SRCKDR | |
| SCHEMBL14086355 | 0.77 | SRC (0.66) | SRCYES1FGRPIK3CDPRKDC | |
| SCHEMBL2361494 | 0.76 | KDM4E (0.68) | RETSRCKDRYES1FGR | |
| SCHEMBL3792927 | 0.75 | CYP1A2 (0.69) | RETSRCKDRYES1FGR | |
| SCHEMBL21308414 | 0.75 | SRC (0.59) | RETHDAC1SRCKDRYES1 | |
| SCHEMBL5067784 | 0.74 | SRC (0.50) | RETSRCYES1FGRPIK3CD | |
| SCHEMBL29781034 | 0.73 | ADORA2A (0.49) | ADORA2ARETADORA2BADORA1SRC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3246327-A1 | 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF | Si Chuan University (CN) | 2017-11-22 | — | — | EP | disclosed |