Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | EIF2AK3 | Q9NZJ5 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.35 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7427969 | 0.93 | ALDH1A1 (0.46) | CYP11B1CYP11B2ALDH1A1MAPTROCK1 | |
| Trifluoroacetic Acid SCHEMBL5213690 | 0.91 | CYP11B1 (0.41) | CYP11B1CYP11B2ALDH1A1MAPTROCK1 | |
| SCHEMBL7428011 | 0.90 | ALDH1A1 (0.39) | CYP11B1CYP11B2ALDH1A1MAPTROCK1 | |
| Trifluoroacetic Acid SCHEMBL7433118 | 0.89 | RIPK1 (0.39) | CYP11B1CYP11B2ALDH1A1ROCK1EIF2AK3 | |
| SCHEMBL7434744 | 0.86 | OPRD1 (0.36) | ALDH1A1MAPTROCK1TSHRRIPK1 | |
| SCHEMBL7424730 | 0.85 | ROCK1 (0.37) | CYP11B1CYP11B2ALDH1A1ROCK1EIF2AK3 | |
| Trifluoroacetic Acid SCHEMBL5210778 | 0.84 | RIPK1 (0.39) | CYP11B1CYP11B2ALDH1A1ROCK1EIF2AK3 | |
| Hydrochloric Acid SCHEMBL5244756 | 0.84 | ALDH1A1 (0.39) | CYP11B1CYP11B2ALDH1A1MAPTROCK1 | |
| Trifluoroacetic Acid SCHEMBL5208180 | 0.84 | RIPK1 (0.42) | CYP11B1CYP11B2ALDH1A1MAPTROCK1 | |
| Trifluoroacetic Acid SCHEMBL5210860 | 0.83 | RIPK1 (0.42) | CYP11B1CYP11B2ALDH1A1MAPTROCK1 |
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 |