Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1599110 | 0.75 | KDM4E (0.38) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL15086999 | 0.75 | JAK2 (0.47) | JAK2JAK1NOTUMIKBKBCHUK | |
| SCHEMBL3767011 | 0.74 | KDM4E (0.37) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL19153637 | 0.74 | KDM4E (0.51) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL6833739 | 0.74 | CHEK1 (0.49) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL12391478 | 0.71 | LRRK2 (0.40) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL21388537 | 0.70 | JAK3 (0.40) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL18238494 | 0.70 | ADORA2A (0.40) | KDM4ERAB9AKMT2AALDH1A1GLA | |
| SCHEMBL3761579 | 0.67 | TTBK1 (0.55) | JAK2JAK1TTBK1TTBK2 | |
| SCHEMBL13058088 | 0.66 | TTBK1 (0.45) | JAK2JAK1TTBK1TTBK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020234756-A1 | PYRIDO-PYRIMIDIN DERIVATIVES AND PHARMACEUTICAL COMPOSITION, FOR USE IN PREVENTING OR TREATING PI3 KINASE RELATED DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT | 보령제약 주식회사 (KR) | 2020-11-26 | — | — | WO | disclosed |