Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CRHBP | P24387 | 2/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30334802 | 0.85 | LMNA (0.43) | LMNACRHBPCRHR2SMN1; SMN2MAOB | |
| SCHEMBL121647 | 0.85 | LMNA (0.43) | LMNACRHBPCRHR2SMN1; SMN2MAOB | |
| Hydrochloric Acid SCHEMBL11520836 | 0.82 | LMNA (0.41) | LMNACRHBPCRHR2SMN1; SMN2MAOB | |
| Cyclohexane SCHEMBL23674790 | 0.77 | SMN1; SMN2 (0.43) | LMNACRHBPCRHR2SMN1; SMN2MAOB | |
| Dioxane SCHEMBL23674718 | 0.74 | LMNA (0.62) | LMNACRHBPCRHR2SMN1; SMN2MAOB | |
| SCHEMBL20483066 | 0.72 | LMNA (0.31) | LMNACRHBPCRHR2SMN1; SMN2HTT | |
| Pyrazine SCHEMBL22491477 | 0.70 | ABCG2 (0.74) | LMNACRHBPCRHR2SMN1; SMN2MAOB | |
| Hydrochloric Acid SCHEMBL1653598 | 0.69 | AOC1 (0.31) | — | |
| SCHEMBL32690528 | 0.67 | LMNA (0.31) | LMNACRHBPCRHR2SMN1; SMN2HTT | |
| SCHEMBL29568932 | 0.67 | CA12 (0.38) | LMNASMN1; SMN2HTTNPC1RAB9A |
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-3331525-B1 | USE OF CRAC CHANNEL INHIBITORS FOR THE TREATMENT OF STROKE AND TRAUMATIC BRAIN INJURY | CALCIMEDICA INC (US) | 2020-10-07 | — | — | EP | disclosed |