Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 7/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5478498 | 0.87 | TLR9 (0.48) | LMNAKDM4EHTTSMN1; SMN2TLR9 | |
| SCHEMBL5479118 | 0.86 | CYP3A4 (0.45) | LMNAKDM4EHTTSMN1; SMN2TLR9 | |
| SCHEMBL7220542 | 0.77 | F2 (0.47) | F2PRSS1 | |
| SCHEMBL7411110 | 0.76 | F2 (0.47) | F2PRSS1 | |
| SCHEMBL8188271 | 0.75 | F2 (0.50) | F2PRSS1 | |
| SCHEMBL3238624 | 0.74 | F2 (0.70) | F2PRSS1 | |
| SCHEMBL8293952 | 0.74 | SMN1; SMN2 (0.51) | LMNAKDM4EHTTSMN1; SMN2CYP3A4 | |
| SCHEMBL5885528 | 0.74 | F2 (0.60) | F2PRSS1 | |
| SCHEMBL5475869 | 0.73 | F2 (0.39) | TLR9F2PRSS1 | |
| Hydrochloric Acid SCHEMBL7023125 | 0.73 | F2 (0.39) | F2CNR1PRSS1 |
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-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | 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 |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |