Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23259944 | 1.00 | BACE1 (0.34) | BACE1GPR35PHGDHPOLBTHRB | |
| SCHEMBL29725964 | 1.00 | BACE1 (0.34) | BACE1GPR35PHGDHPOLBTHRB | |
| SCHEMBL29725911 | 0.92 | BACE1 (0.34) | BACE1GPR35POLBTHRBNPSR1 | |
| SCHEMBL28957391 | 0.92 | BACE1 (0.34) | BACE1GPR35POLBTHRBNPSR1 | |
| SCHEMBL30972783 | 0.91 | BACE1 (0.35) | BACE1GPR35POLBTHRBNPSR1 | |
| SCHEMBL30973010 | 0.91 | BACE1 (0.35) | BACE1GPR35POLBTHRBNPSR1 | |
| Ethyl Bromo Acetate SCHEMBL23249004 | 0.90 | TRPA1 (0.32) | BACE1PHGDH | |
| SCHEMBL24555571 | 0.90 | GPR35 (0.36) | BACE1GPR35POLBTHRB | |
| SCHEMBL28871842 | 0.90 | GPR35 (0.36) | BACE1GPR35POLBTHRB | |
| SCHEMBL29725940 | 0.90 | GPR35 (0.36) | BACE1GPR35POLBTHRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125182-A1 | PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF | 海思科医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| CN-115087444-A | Inhibition of human integrin alpha 4 β 7 | 莫菲克医疗股份有限公司 | 2022-09-20 | — | — | CN | disclosed |