Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.45 |
| ▸ | CTSK | P43235 | 6/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 5/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23332016 | 0.92 | CTSS (0.45) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL24942213 | 0.89 | CTSS (0.43) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL23306680 | 0.83 | PTPN1 (0.51) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL23306679 | 0.83 | PTPN1 (0.51) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL23331972 | 0.82 | PTPN1 (0.34) | HDAC8 | |
| SCHEMBL23332228 | 0.81 | REN (0.48) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL23306289 | 0.81 | REN (0.48) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL24941612 | 0.81 | CTSS (0.43) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL24942216 | 0.80 | REN (0.42) | CTSSCTSKHDAC8ITGB3ITGA2B | |
| SCHEMBL23332134 | 0.79 | CTSS (0.51) | CTSSCTSKCTSBCTSLHDAC8 |
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-2021087083-A1 | USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-05-06 | — | — | WO | disclosed |
| WO-2021087082-A1 | PRODRUGS OF ITACONATE AND METHYL ITACONATE | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-05-06 | — | — | WO | disclosed |