Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 5/20 | 0.41 |
| ▸ | HCK | P08631 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL21792590 | 1.00 | BTK (0.41) | BTKHCKHDAC4HDAC6TBK1 | |
| SCHEMBL23608014 | 0.91 | BTK (0.42) | BTKHCKHDAC4HDAC6TBK1 | |
| SCHEMBL21792649 | 0.91 | BTK (0.42) | BTKHCKHDAC4HDAC6TBK1 | |
| SCHEMBL23608063 | 0.90 | BTK (0.41) | BTKHCKCNR2KDRITK | |
| SCHEMBL23608061 | 0.90 | BTK (0.41) | BTKHCKCNR2KDRITK | |
| SCHEMBL23608044 | 0.88 | BTK (0.49) | BTKHCKITKEGFR | |
| SCHEMBL21792674 | 0.88 | BTK (0.49) | BTKHCKITKEGFR | |
| SCHEMBL30605609 | 0.84 | KDR (0.43) | BTKHCKTBK1CNR2USP30 | |
| SCHEMBL21777047 | 0.81 | BTK (0.45) | BTKHDAC4HDAC6TBK1CNR2 | |
| SCHEMBL25120544 | 0.81 | BTK (0.45) | BTKHDAC4HDAC6TBK1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112638910-B | New heterocyclic amine derivatives and pharmaceutical compositions containing the same | 株式会社大熊制药 | 2024-06-11 | — | — | CN | disclosed |