Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.44 |
| ▸ | MAOB | P27338 | 7/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | F2 | P00734 | 6/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | F9 | P00740 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | PLAT | P00750 | 1/20 | 0.42 |
| ▸ | F11 | P03951 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | MASP2 | O00187 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919450 | 0.84 | MAOB (0.44) | MAOAMAOBGPBAR1F2 | |
| SCHEMBL6914971 | 0.84 | MAOB (0.44) | MAOAMAOBGPBAR1F2 | |
| Hydrochloric Acid SCHEMBL6920555 | 0.83 | MAOB (0.43) | MAOAMAOBGPBAR1F2 | |
| Hydrochloric Acid SCHEMBL6919805 | 0.83 | MAOB (0.43) | MAOAMAOBGPBAR1F2 | |
| SCHEMBL6921701 | 0.82 | GPBAR1 (0.45) | MAOAMAOBGPBAR1CYP3A4F2 | |
| SCHEMBL6922183 | 0.82 | CYP3A4 (0.48) | GPBAR1CYP3A4F2PRSS1F9 | |
| SCHEMBL6078656 | 0.82 | F2 (0.47) | GPBAR1CYP3A4F2PRSS1F9 | |
| Hydrochloric Acid SCHEMBL6079141 | 0.81 | F2 (0.46) | GPBAR1CYP3A4F2PRSS1F9 | |
| SCHEMBL6918997 | 0.81 | CYP3A4 (0.45) | GPBAR1CYP3A4F2PRSS1F9 | |
| SCHEMBL6916861 | 0.81 | CYP3A4 (0.45) | GPBAR1CYP3A4F2PRSS1F9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |