Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 5/20 | 0.41 |
| ▸ | HCK | P08631 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.38 |
| ▸ | RHOA | P61586 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | ITK | Q08881 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 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 | |
|---|---|---|---|---|
| SCHEMBL23608061 | 1.00 | BTK (0.41) | BTKHCKKDRRHOACNR2 | |
| SCHEMBL23608044 | 0.92 | BTK (0.49) | BTKHCKITKEGFRJAK3 | |
| SCHEMBL21792674 | 0.92 | BTK (0.49) | BTKHCKITKEGFRJAK3 | |
| SCHEMBL21792590 | 0.90 | BTK (0.41) | BTKHCKKDRCNR2ITK | |
| SCHEMBL29261762 | 0.90 | BTK (0.41) | BTKHCKKDRCNR2ITK | |
| SCHEMBL28554401 | 0.88 | MAP3K12 (0.46) | BTKHCKKDRCNR2ITK | |
| SCHEMBL28546348 | 0.88 | MAP3K12 (0.46) | BTKHCKKDRCNR2ITK | |
| SCHEMBL21792692 | 0.83 | KDR (0.42) | KDRCCNT1CDK2 | |
| SCHEMBL31427177 | 0.83 | KDR (0.42) | KDRCCNT1CDK2 | |
| SCHEMBL26604141 | 0.82 | KDR (0.45) | BTKHCKKDRCNR2ITK |
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-3845530-A1 | NOVEL HETEROCYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Daewoong Pharmaceutical Co., Ltd. (KR) | 2021-07-07 | — | — | EP | disclosed |
| CN-112638910-A | Novel heterocyclic amine derivatives and pharmaceutical compositions comprising the same | 株式会社大熊制药 | 2021-04-09 | — | — | CN | disclosed |