Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7404611 | 0.90 | IDO1 (0.41) | PTGDR2IDO1GAAPOLBSMN1; SMN2 | |
| SCHEMBL7422547 | 0.86 | F2 (0.39) | PTGDR2IDO1GAAPOLBSMN1; SMN2 | |
| SCHEMBL7372767 | 0.79 | MAPT (0.58) | PTGDR2IDO1PTGER1TDP1CYP2C9 | |
| SCHEMBL3854487 | 0.78 | IDO1 (0.45) | IDO1GAASMN1; SMN2PTGER1KDM4E | |
| SCHEMBL3474167 | 0.77 | PPARA (0.48) | PTGDR2PPARAPPARGGAAPOLB | |
| SCHEMBL3730313 | 0.77 | MAPT (0.45) | PTGDR2IDO1GAASMN1; SMN2PTGER1 | |
| SCHEMBL6921464 | 0.77 | IDO1 (0.50) | IDO1GAASMN1; SMN2PTGER1KDM4E | |
| SCHEMBL27988801 | 0.77 | IDO1 (0.53) | IDO1GAAPOLBSMN1; SMN2KDM4E | |
| SCHEMBL7404608 | 0.76 | F2 (0.54) | GAASMN1; SMN2PTGER1KDM4EALDH1A1 | |
| SCHEMBL23979460 | 0.76 | IDO1 (0.47) | IDO1GAASMN1; SMN2PTGER1KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| US-6017934-A | Thrombin inhibitors | MERCK & CO., INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| US-5866573-A | Pyrazinone thrombin inhibitors | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| US-5792779-A | CARDIOVASCULAR DISORDERS; ANGINA | MERCK & CO., INC. (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |