Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | F2 | P00734 | 13/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.51 |
| ▸ | F9 | P00740 | 1/20 | 0.51 |
| ▸ | F10 | P00742 | 1/20 | 0.51 |
| ▸ | PLAT | P00750 | 1/20 | 0.51 |
| ▸ | F11 | P03951 | 1/20 | 0.51 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.51 |
| ▸ | F7 | P08709 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | MASP2 | O00187 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919000 | 1.00 | CYP3A4 (0.57) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6922190 | 0.91 | CYP3A4 (0.61) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6921206 | 0.88 | F2 (0.49) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6079191 | 0.86 | F2 (0.60) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6919168 | 0.86 | CYP3A4 (0.53) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6919164 | 0.86 | CYP3A4 (0.53) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL4205534 | 0.85 | CYP3A4 (0.79) | CYP3A4F2PRSS1F9F10 | |
| Hydrochloric Acid SCHEMBL4201955 | 0.84 | CYP3A4 (0.78) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL4207051 | 0.84 | CYP3A4 (0.56) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL4199134 | 0.84 | CYP3A4 (0.56) | CYP3A4F2PRSS1F9F10 |
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 |