Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10626440 | 0.78 | PTGS2 (0.56) | PTGS2USP2GAAALOX15RAD51 | |
| SCHEMBL7220652 | 0.75 | NR4A2 (0.36) | MAPT | |
| SCHEMBL10631836 | 0.74 | PTGS2 (0.47) | PTGS2NR3C1TAS1R3TAS1R1MAOA | |
| SCHEMBL30795530 | 0.74 | PTGS2 (0.49) | PTGS2NR3C1MAOAUSP2GAA | |
| SCHEMBL5795645 | 0.74 | TAS1R3 (0.48) | PTGS2NR3C1TAS1R3TAS1R1MAOA | |
| SCHEMBL11085866 | 0.74 | APP (0.36) | GAASLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL5795648 | 0.73 | PTGS2 (0.36) | PTGS2NR3C1TAS1R3TAS1R1MAOA | |
| SCHEMBL3106353 | 0.73 | TUBB4A (0.51) | TAS1R3TAS1R1MAOAUSP2GAA | |
| SCHEMBL1205124 | 0.71 | HSD17B10 (0.61) | SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL9995953 | 0.71 | MIF (0.40) | ALOX15SLC6A2SLC6A3CYP1A2CYP3A4 |
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 |