Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 12/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31600356 | 0.83 | NOTUM (0.44) | NOTUMCYP11B2HTR2AHTR2CHTR2B | |
| SCHEMBL31600663 | 0.79 | NOTUM (0.41) | NOTUMCYP11B2HTR2AHTR2CHTR2B | |
| SCHEMBL19391610 | 0.76 | HTR2A (0.46) | NOTUMHTR2AHTR2CHTR2B | |
| SCHEMBL3154459 | 0.76 | CYP11B2 (0.42) | NOTUMCYP11B2HTR2AHTR2CHTR2B | |
| SCHEMBL18369759 | 0.74 | ALDH1A1 (0.51) | NOTUMCYP11B2 | |
| SCHEMBL256752 | 0.74 | HTR2A (0.47) | HTR2AHTR2CHTR2B | |
| SCHEMBL827886 | 0.72 | CYP11B2 (0.59) | NOTUMCYP11B2CYP11B1 | |
| SCHEMBL2619231 | 0.70 | NOTUM (1.00) | NOTUM | |
| SCHEMBL18168634 | 0.70 | NOTUM (0.59) | NOTUMCYP11B2CYP11B1 | |
| SCHEMBL13081092 | 0.69 | HTR2A (0.46) | HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |