Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 7/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABL2 | P42684 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845691 | 0.83 | TP53 (0.45) | TP53TDP1PDE10ABACE1ESR1 | |
| SCHEMBL9845688 | 0.83 | TP53 (0.45) | TP53TDP1PDE10ABACE1ESR1 | |
| SCHEMBL17263443 | 0.83 | TSHR (0.45) | TP53EGFRABL1ABL2MAPT | |
| SCHEMBL11023703 | 0.82 | LCK (0.58) | TP53TDP1EGFRABL1ABL2 | |
| SCHEMBL3747477 | 0.81 | TP53 (0.46) | TP53TDP1PDE10ABACE1ESR1 | |
| SCHEMBL3752323 | 0.81 | TP53 (0.46) | TP53TDP1PDE10ABACE1ESR1 | |
| SCHEMBL9251415 | 0.80 | PTGS1 (0.56) | TP53TDP1ESR1ESR2PTGS1 | |
| SCHEMBL9251408 | 0.80 | PTGS1 (0.56) | TP53TDP1ESR1ESR2PTGS1 | |
| SCHEMBL1824384 | 0.79 | LCK (0.61) | TP53TDP1PDE10ABACE1ESR1 | |
| SCHEMBL1824386 | 0.79 | LCK (0.61) | TP53TDP1PDE10ABACE1ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118344512-A | Mannich base and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-07-16 | — | — | CN | disclosed |
| CN-118344511-A | Mannich base and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-07-16 | — | — | CN | disclosed |
| EP-1352650-B1 | INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES | INST MED MOLECULAR DESIGN INC (JP) | 2012-03-07 | — | — | EP | disclosed |