Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.35 |
| ▸ | ITGAV | P06756 | 3/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.35 |
| ▸ | ITGAL | P20701 | 6/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 5/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 5/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978637 | 1.00 | SIGMAR1 (0.37) | SIGMAR1KCNQ2ITGB1ITGA5ITGAV | |
| SCHEMBL24803234 | 1.00 | SIGMAR1 (0.37) | SIGMAR1KCNQ2ITGB1ITGA5ITGAV | |
| SCHEMBL23978721 | 1.00 | SIGMAR1 (0.37) | SIGMAR1KCNQ2ITGB1ITGA5ITGAV | |
| SCHEMBL26476106 | 0.94 | ITGAL (0.36) | KCNQ2ITGB1ITGA5ITGAVITGA4 | |
| SCHEMBL26476199 | 0.94 | ITGAL (0.36) | KCNQ2ITGB1ITGA5ITGAVITGA4 | |
| SCHEMBL23978713 | 0.93 | SIGMAR1 (0.34) | SIGMAR1KCNQ2EPHX2PSEN1PSEN2 | |
| SCHEMBL30083847 | 0.93 | SIGMAR1 (0.34) | SIGMAR1KCNQ2EPHX2PSEN1PSEN2 | |
| SCHEMBL26496914 | 0.93 | SIGMAR1 (0.34) | SIGMAR1KCNQ2EPHX2PSEN1PSEN2 | |
| SCHEMBL26496915 | 0.89 | KCNQ2 (0.39) | SIGMAR1KCNQ2EPHX2CACNA1GCACNA1H | |
| SCHEMBL30279405 | 0.87 | EPHX2 (0.42) | SIGMAR1KCNQ2ITGALITGB2ICAM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916176-A | Inhibitors of alpha 2 beta 1 integrin and methods of use thereof | 加利福尼亚大学董事会 | 2023-04-04 | — | — | CN | disclosed |