Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7372197 | 1.00 | TSHR (0.49) | TSHRHPGDALDH1A1HSD17B10TDP1 | |
| SCHEMBL3281100 | 0.83 | ERN1 (0.59) | TSHRHPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL1852023 | 0.83 | ERN1 (0.59) | TSHRHPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL1852021 | 0.83 | ERN1 (0.59) | TSHRHPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL4272768 | 0.82 | ERN1 (0.57) | TSHRHPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL4272769 | 0.82 | ERN1 (0.57) | TSHRHPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL30301104 | 0.82 | MAOB (0.47) | TSHRHPGDALDH1A1HSD17B10TDP1 | |
| SCHEMBL2904660 | 0.81 | MAPT (0.59) | TSHRHPGDALDH1A1TDP1KDM4E | |
| SCHEMBL4049047 | 0.81 | MAPT (0.59) | TSHRHPGDALDH1A1TDP1KDM4E | |
| SCHEMBL2904656 | 0.81 | MAPT (0.59) | TSHRHPGDALDH1A1TDP1KDM4E |
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 13 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 |
| EP-0923372-A4 | PYRIDINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0971891-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2000-04-19 | — | — | EP | disclosed |
| US-6017934-A | Thrombin inhibitors | MERCK & CO., INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0971891-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-19 | — | — | EP | disclosed |
| CN-1222909-A | Pyrazinone thrombin inhibitors | MERCK & CO INC (US) | 1999-07-14 | — | — | CN | disclosed |
| EP-0923372-A1 | PYRIDINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-06-23 | — | — | EP | 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-1998031670-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-07-23 | — | — | WO | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997030708-A1 | PYRIDINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-08-28 | — | — | WO | disclosed |