Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 6/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28517986 | 1.00 | BCL2 (0.37) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL18428105 | 0.92 | BCL2 (0.39) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL18428107 | 0.92 | BCL2 (0.39) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL16970661 | 0.89 | ATM (0.38) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL28517905 | 0.86 | BCL2 (0.35) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL18472377 | 0.85 | ALDH1A1 (0.32) | CYP2D6IDO1ALDH1A1 | |
| SCHEMBL28517894 | 0.85 | ATM (0.39) | PPARGPPARAATMABCB1CTSS | |
| SCHEMBL28518881 | 0.85 | BCL2 (0.36) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL28907023 | 0.83 | CACNA1B (0.37) | BCL2MCL1PPARGPPARAGSTP1 | |
| SCHEMBL16970779 | 0.83 | CACNA1B (0.37) | BCL2MCL1PPARGPPARAGSTP1 |
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 |