Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTA1 | P08263 | 6/20 | 0.50 |
| ▸ | GSTP1 | P09211 | 6/20 | 0.50 |
| ▸ | PTPRC | P08575 | 4/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 4/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.47 |
| ▸ | PTPRB | P23467 | 4/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.47 |
| ▸ | CREB1 | P16220 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 3/20 | 0.34 |
| ▸ | CD14 | P08571 | 3/20 | 0.34 |
| ▸ | LY96 | Q9Y6Y9 | 3/20 | 0.34 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25819205 | 0.82 | GSTA1 (0.55) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL25819329 | 0.81 | GSTA1 (0.53) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL12856732 | 0.76 | GSTA1 (0.67) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL760971 | 0.75 | GSTA1 (0.65) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL23931194 | 0.74 | GSTA1 (0.58) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL25819200 | 0.74 | GSTA1 (0.51) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL19726834 | 0.73 | GSTA1 (0.64) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL12856718 | 0.73 | GSTA1 (0.64) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL761363 | 0.72 | GSTA1 (0.67) | GSTA1GSTP1PTPRCPTPN2PTPN1 | |
| SCHEMBL14159148 | 0.70 | PTPRC (0.43) | GSTA1GSTP1PTPRCPTPN2PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230220158-A1 | IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY | NATIONAL SCIENCE FOUNDATION | 2023-07-13 | — | — | US | disclosed |