Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 2/20 | 0.55 |
| ▸ | LSS | P48449 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.48 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27550402 | 0.95 | HRH3 (0.59) | HRH3EPHX2HSD11B1MGLLLSS | |
| SCHEMBL429697 | 0.83 | ST14 (0.59) | HRH3PRSS1PRSS2PRSS3F2 | |
| SCHEMBL13841325 | 0.82 | EPHX2 (0.81) | HRH3EPHX2HSD11B1MGLLLSS | |
| SCHEMBL27629727 | 0.82 | HPGD (0.65) | HRH3EPHX2HSD11B1MGLLLSS | |
| Hydrochloric Acid SCHEMBL1550092 | 0.81 | ST14 (0.57) | HRH3PRSS1PRSS2PRSS3F2 | |
| Hydrochloric Acid SCHEMBL25262157 | 0.80 | ST14 (0.55) | HRH3PRSS1PRSS2PRSS3F2 | |
| SCHEMBL5450590 | 0.79 | HRH3 (0.60) | HRH3EPHX2HSD11B1MGLLLSS | |
| SCHEMBL27492566 | 0.79 | HRH3 (0.60) | HRH3EPHX2HSD11B1MGLLLSS | |
| SCHEMBL7386103 | 0.78 | SIGMAR1 (0.52) | HRH3LSSITGB3ITGA2BPRSS1 | |
| SCHEMBL5534879 | 0.78 | HSD11B1 (0.68) | HRH3EPHX2HSD11B1MGLLLSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025086-B1 | BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-6492368-B1 | Benzamidine derivatives as factor XA inhibitors | MERCK PATENT GMBH (DE) | 2002-12-10 | — | — | US | disclosed |