Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 13/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.46 |
| ▸ | F9 | P00740 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | PLAT | P00750 | 1/20 | 0.46 |
| ▸ | F11 | P03951 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | MASP2 | O00187 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6078172 | 0.90 | ALDH1A1 (0.57) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL6078165 | 0.90 | ALDH1A1 (0.57) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL6078294 | 0.90 | ALDH1A1 (0.60) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL28842114 | 0.90 | ALDH1A1 (0.60) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL6919930 | 0.85 | CYP3A4 (0.58) | CYP3A4F2PRSS1F9F10 | |
| SCHEMBL6078170 | 0.84 | ALDH1A1 (0.62) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL6078169 | 0.84 | ALDH1A1 (0.44) | CYP3A4ALDH1A1F2F11 | |
| SCHEMBL6079282 | 0.84 | ALDH1A1 (0.64) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL6076840 | 0.84 | ALDH1A1 (0.55) | CYP3A4ALDH1A1F2PRSS1F9 | |
| SCHEMBL6076830 | 0.84 | ALDH1A1 (0.55) | CYP3A4ALDH1A1F2PRSS1F9 |
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 |