Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | XBP1 | P17861 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16974996 | 1.00 | AAK1 (0.33) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL18428023 | 1.00 | AAK1 (0.33) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL16974967 | 0.96 | ATM (0.35) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL18427935 | 0.96 | ATM (0.35) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL16970714 | 0.93 | AAK1 (0.33) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL28511510 | 0.93 | AAK1 (0.33) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL16974955 | 0.92 | IDO1 (0.35) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL23877849 | 0.92 | IDO1 (0.35) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL18428043 | 0.92 | IDO1 (0.35) | AAK1SYKATMLMNAHSP90AA1 | |
| SCHEMBL16974947 | 0.91 | AAK1 (0.38) | AAK1SYKATMLMNAHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3102195-B1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES INC (US) | 2021-10-06 | — | — | EP | disclosed |