Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28526564 | 0.80 | KMT2A (0.47) | ATMALDH1A1 | |
| SCHEMBL9744622 | 0.79 | CTSS (0.55) | AAK1HDAC1CTSKCTSSALDH1A1 | |
| SCHEMBL29353000 | 0.78 | HDAC1 (0.52) | HDAC1HDAC3HDAC2HDAC10HDAC6 | |
| SCHEMBL211033 | 0.78 | HDAC1 (0.52) | HDAC1HDAC3HDAC2HDAC10HDAC6 | |
| SCHEMBL9283981 | 0.77 | AAK1 (0.51) | AAK1HDAC1HDAC3HDAC2CTSK | |
| SCHEMBL9286086 | 0.77 | AAK1 (0.51) | AAK1HDAC1HDAC3HDAC2CTSK | |
| SCHEMBL15618140 | 0.77 | APP (0.43) | AAK1HDAC1ATMCTSKCTSS | |
| SCHEMBL4080656 | 0.76 | AAK1 (0.55) | AAK1HDAC1CTSKCTSSCTSL | |
| SCHEMBL9670280 | 0.75 | AAK1 (0.52) | AAK1HDAC1ATMCTSKCTSS | |
| SCHEMBL6300345 | 0.75 | ALDH1A1 (0.46) | ATMSYKCTSKCTSSALDH1A1 |
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-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |