Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 12/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7453723 | 0.84 | CYP11B1 (0.39) | CYP11B1CYP11B2ENPP2HSP90AA1SIRT2 | |
| SCHEMBL9587793 | 0.80 | CYP11B1 (0.41) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL8497835 | 0.77 | CYP11B1 (0.38) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL9073618 | 0.77 | CYP11B1 (0.38) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL9587597 | 0.77 | SIRT2 (0.38) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL8803490 | 0.76 | CYP11B1 (0.43) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL4025463 | 0.75 | CYP11B1 (0.39) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL14290021 | 0.74 | SIRT2 (0.37) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL1039275 | 0.74 | CYP11B1 (0.41) | CYP11B1CYP11B2ENPP2SIRT2 | |
| SCHEMBL31646315 | 0.73 | CYP11B1 (0.38) | CYP11B1CYP11B2ENPP2SIRT2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0969840-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-02-28 | — | — | EP | disclosed |
| EP-0969840-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5932606-A | Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors | MERCK & CO., INC. (US) | 1999-08-03 | — | — | US | disclosed |
| WO-1998042342-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-10-01 | — | — | WO | disclosed |