Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | XBP1 | P17861 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16974988 | 1.00 | ATM (0.35) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL16970644 | 0.94 | AAK1 (0.34) | ATMAAK1SYKALDH1A1LMNA | |
| SCHEMBL16974985 | 0.88 | IDO1 (0.40) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL16974981 | 0.88 | IDO1 (0.40) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL18445860 | 0.88 | IDO1 (0.40) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL16970649 | 0.85 | KLK5 (0.33) | ATMKLK5ACEALDH1A1LMNA | |
| SCHEMBL18428009 | 0.84 | IDO1 (0.38) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL28521357 | 0.84 | IDO1 (0.38) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL18428069 | 0.84 | IDO1 (0.37) | ATMAAK1IDO1SYKKLK5 | |
| SCHEMBL16974970 | 0.84 | IDO1 (0.37) | ATMAAK1IDO1SYKKLK5 |
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-3102195-B1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES INC (US) | 2021-10-06 | — | — | EP | disclosed |
| 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 |