Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16970593 | 1.00 | AAK1 (0.38) | AAK1ATMCYP2D6SYKCNR2 | |
| SCHEMBL28524672 | 0.95 | AAK1 (0.35) | AAK1ATMCYP2D6SYKCNR2 | |
| SCHEMBL16970599 | 0.95 | AAK1 (0.35) | AAK1ATMCYP2D6SYKCNR2 | |
| SCHEMBL18428048 | 0.92 | AAK1 (0.38) | AAK1ATMSYKLMNAHSP90AA1 | |
| SCHEMBL16974947 | 0.92 | AAK1 (0.38) | AAK1ATMSYKLMNAHSP90AA1 | |
| SCHEMBL16970714 | 0.91 | AAK1 (0.33) | AAK1ATMCYP2D6SYKLMNA | |
| SCHEMBL28511510 | 0.91 | AAK1 (0.33) | AAK1ATMCYP2D6SYKLMNA | |
| SCHEMBL16970683 | 0.91 | AAK1 (0.36) | AAK1ATMCYP2D6SYKLMNA | |
| SCHEMBL28515394 | 0.91 | AAK1 (0.36) | AAK1ATMCYP2D6SYKLMNA | |
| SCHEMBL16970635 | 0.90 | LMNA (0.36) | AAK1ATMCYP2D6LMNAGAA |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |