Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ING2 | Q9H160 | 3/20 | 0.42 |
| ▸ | CD69 | Q07108 | 2/20 | 0.42 |
| ▸ | GSTA1 | P08263 | 6/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 6/20 | 0.39 |
| ▸ | PTPRC | P08575 | 4/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | PTPRB | P23467 | 4/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.38 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 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 | |
|---|---|---|---|---|
| SCHEMBL25819243 | 0.86 | GSTA1 (0.40) | ING2CD69GSTA1GSTP1PTPRC | |
| SCHEMBL18863517 | 0.76 | ING2 (0.50) | ING2CD69GSTA1GSTP1PTPRC | |
| SCHEMBL25819329 | 0.70 | GSTA1 (0.53) | ING2CD69GSTA1GSTP1PTPRC | |
| SCHEMBL25819263 | 0.69 | CD69 (0.54) | ING2CD69GSTA1GSTP1PTPN2 | |
| SCHEMBL25819325 | 0.69 | ING2 (0.81) | ING2CD69GSTA1GSTP1PTPRC | |
| SCHEMBL10780139 | 0.67 | ALDH1A1 (0.40) | PTPN11ALDH1A1TSHRHSD17B10 | |
| SCHEMBL10348210 | 0.67 | LTA4H (0.37) | ALDH1A1PDE3A | |
| SCHEMBL23706460 | 0.67 | HTR1B (0.38) | PTPN11ALDH1A1HSD17B10TDP1 | |
| SCHEMBL29740728 | 0.67 | HTR1B (0.38) | PTPN11ALDH1A1HSD17B10TDP1 | |
| SCHEMBL8958221 | 0.67 | ING2 (0.59) | ING2ALDH1A1TSHR |
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 |