Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.44 |
| ▸ | EIF2AK3 | Q9NZJ5 | 4/20 | 0.44 |
| ▸ | EIF2AK1 | Q9BQI3 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19098411 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP11B1CYP11B2SMN1; SMN2RAB9A | |
| SCHEMBL870385 | 0.90 | RIPK1 (0.48) | ALDH1A1CYP11B1CYP11B2SMN1; SMN2RAB9A | |
| SCHEMBL868258 | 0.86 | RIPK1 (0.51) | ALDH1A1CYP11B1CYP11B2SMN1; SMN2ROCK1 | |
| SCHEMBL23063812 | 0.85 | CYP11B1 (0.51) | ALDH1A1CYP11B1CYP11B2SMN1; SMN2ROCK1 | |
| SCHEMBL29995958 | 0.85 | CYP11B1 (0.51) | ALDH1A1CYP11B1CYP11B2SMN1; SMN2ROCK1 | |
| SCHEMBL1983987 | 0.84 | NPC1 (0.60) | ALDH1A1CYP11B1CYP11B2SMN1; SMN2RAB9A | |
| SCHEMBL30876862 | 0.84 | RIPK1 (0.61) | EIF2AK1LCKAURKBEIF2AK2 | |
| SCHEMBL24491357 | 0.84 | RIPK1 (0.61) | EIF2AK1LCKAURKBEIF2AK2 | |
| SCHEMBL12502368 | 0.84 | NOTUM (0.43) | ALDH1A1CYP11B1CYP11B2ROCK1LMNA | |
| SCHEMBL1356690 | 0.82 | ROCK1 (0.41) | CYP11B1CYP11B2SMN1; SMN2RAB9AROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023034236-A1 | DEUTERATED INHIBITORS OF RIP KINASES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2023-03-09 | — | — | WO | disclosed |