Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 7/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18427978 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HTTBCL2MCL1ATM | |
| SCHEMBL18427980 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HTTBCL2MCL1ATM | |
| SCHEMBL18428010 | 0.88 | ATM (0.40) | ATMAPPMEN1KMT2AMAPT | |
| SCHEMBL28525975 | 0.88 | ATM (0.40) | ATMAPPMEN1KMT2AMAPT | |
| SCHEMBL18428107 | 0.84 | BCL2 (0.39) | BCL2MCL1ATMAPPSYK | |
| SCHEMBL18428105 | 0.84 | BCL2 (0.39) | BCL2MCL1ATMAPPSYK | |
| SCHEMBL28511529 | 0.83 | TNF (0.37) | ALDH1A1HTTBCL2MCL1ATM | |
| SCHEMBL18428124 | 0.83 | ATM (0.40) | BCL2MCL1ATMPPARA | |
| SCHEMBL16974986 | 0.83 | ATM (0.40) | BCL2MCL1ATMPPARA | |
| SCHEMBL17868345 | 0.83 | ATM (0.40) | BCL2MCL1ATMPPARA |
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 |