Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | F2 | P00734 | 13/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.52 |
| ▸ | F9 | P00740 | 1/20 | 0.52 |
| ▸ | F10 | P00742 | 1/20 | 0.52 |
| ▸ | PLAT | P00750 | 1/20 | 0.52 |
| ▸ | F11 | P03951 | 1/20 | 0.52 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.52 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | MASP2 | O00187 | 1/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919938 | 0.91 | CYP3A4 (0.57) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6919000 | 0.91 | CYP3A4 (0.57) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6921244 | 0.88 | F2 (0.47) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6078453 | 0.86 | F2 (0.58) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6919764 | 0.81 | F2 (0.47) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6922183 | 0.80 | CYP3A4 (0.48) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL4194819 | 0.79 | CYP3A4 (0.54) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6921206 | 0.79 | F2 (0.49) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6918709 | 0.78 | F2 (0.41) | F2PRSS1F9F10F7 | |
| SCHEMBL6076705 | 0.77 | CYP3A4 (0.70) | 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 2 patents. 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 | claimed |
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |