Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.32 |
| ▸ | PPID | Q08752 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | PPIB | P23284 | 2/20 | 0.31 |
| ▸ | PPIG | Q13427 | 2/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21952370 | 0.86 | ITGB3 (0.39) | ABCB1PRSS1TPSAB1ITGB1ITGA5 | |
| SCHEMBL20630203 | 0.86 | ITGB3 (0.39) | ABCB1PRSS1TPSAB1ITGB1ITGA5 | |
| SCHEMBL21952302 | 0.86 | ITGB3 (0.39) | ABCB1PRSS1TPSAB1ITGB1ITGA5 | |
| SCHEMBL21952987 | 0.81 | TSHR (0.32) | ABCB1ITGB3ITGA2B | |
| SCHEMBL20630197 | 0.81 | TSHR (0.32) | ABCB1ITGB3ITGA2B | |
| SCHEMBL21950774 | 0.81 | TSHR (0.32) | ABCB1ITGB3ITGA2B | |
| SCHEMBL21896453 | 0.77 | TPSAB1 (0.42) | PRSS1TPSAB1LMNAMEN1KMT2A | |
| SCHEMBL23220190 | 0.75 | ABCB1 (0.42) | ABCB1PRSS1TPSAB1ITGB1ITGA5 | |
| SCHEMBL21952369 | 0.74 | ABCB1 (0.44) | ABCB1PRSS1TPSAB1ITGB1ITGA5 | |
| SCHEMBL20780011 | 0.74 | ABCB1 (0.36) | ABCB1PRSS1TPSAB1ITGB1ITGA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3636807-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2020-04-15 | — | — | EP | disclosed |