Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | PTGIR | P43119 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.32 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.32 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5213379 | 0.92 | RIPK1 (0.36) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 | |
| SCHEMBL7427969 | 0.89 | ALDH1A1 (0.46) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 | |
| SCHEMBL7428011 | 0.87 | ALDH1A1 (0.39) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 | |
| SCHEMBL7426929 | 0.85 | CYP11B1 (0.45) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 | |
| SCHEMBL7434744 | 0.83 | OPRD1 (0.36) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 | |
| Trifluoroacetic Acid SCHEMBL7433118 | 0.82 | RIPK1 (0.39) | ROCK1ALDH1A1RIPK1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL5244756 | 0.81 | ALDH1A1 (0.39) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL5212001 | 0.80 | EIF2AK3 (0.37) | ROCK1ALDH1A1RIPK1CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL5208180 | 0.80 | RIPK1 (0.42) | ROCK1ALDH1A1RIPK1CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL8041708 | 0.80 | RIPK1 (0.37) | ROCK1ALDH1A1RIPK1OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1192135-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076970-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |