Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7428011 | 0.95 | ALDH1A1 (0.39) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| SCHEMBL7426929 | 0.93 | CYP11B1 (0.45) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL7433118 | 0.91 | RIPK1 (0.39) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| SCHEMBL7434744 | 0.91 | OPRD1 (0.36) | ALDH1A1ROCK1RIPK1SMN1; SMN2MAPT | |
| Trifluoroacetic Acid SCHEMBL5208180 | 0.90 | RIPK1 (0.42) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL5210860 | 0.90 | RIPK1 (0.42) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL5244756 | 0.89 | ALDH1A1 (0.39) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| SCHEMBL7424730 | 0.89 | ROCK1 (0.37) | ALDH1A1ROCK1RIPK1CYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL8041708 | 0.87 | RIPK1 (0.37) | ALDH1A1ROCK1RIPK1OPRM1OPRD1 | |
| Trifluoroacetic Acid SCHEMBL7430442 | 0.86 | RIPK1 (0.38) | ALDH1A1ROCK1RIPK1SMN1; SMN2MAPT |
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 3 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 |
| WO-2000077027-A2 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2000-12-21 | — | — | WO | disclosed |