Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6918158 | 0.90 | ALDH1A1 (0.49) | ALDH1A1F2CYP3A4CTSLCTSS | |
| SCHEMBL6919836 | 0.80 | ALDH1A1 (0.55) | ALDH1A1F2CYP3A4PRSS1FNTA | |
| SCHEMBL6922998 | 0.79 | ALDH1A1 (0.43) | ALDH1A1F2CYP3A4CTSLCTSS | |
| SCHEMBL6076941 | 0.75 | ALDH1A1 (0.55) | ALDH1A1F2PRSS1 | |
| SCHEMBL6077111 | 0.75 | ALDH1A1 (0.55) | ALDH1A1F2PRSS1 | |
| SCHEMBL6918596 | 0.74 | F2 (0.42) | ALDH1A1F2CYP3A4PRSS1 | |
| SCHEMBL6918602 | 0.74 | F2 (0.42) | ALDH1A1F2CYP3A4PRSS1 | |
| SCHEMBL6921244 | 0.74 | F2 (0.47) | F2CYP3A4PRSS1 | |
| SCHEMBL6920455 | 0.73 | F2 (0.41) | ALDH1A1F2CYP3A4CTSSPRSS1 | |
| SCHEMBL6921206 | 0.73 | F2 (0.49) | F2CYP3A4PRSS1 |
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 |