Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 7/20 | 0.42 |
| ▸ | IMPDH1 | P20839 | 3/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 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 | |
|---|---|---|---|---|
| SCHEMBL6920127 | 0.84 | NOTUM (0.49) | NOTUMIMPDH2IMPDH1LTA4HAAK1 | |
| SCHEMBL27589224 | 0.81 | GAA (0.49) | NOTUMIMPDH2IMPDH1AAK1MEN1 | |
| SCHEMBL14143141 | 0.77 | NOTUM (0.55) | NOTUMIMPDH2IMPDH1LTA4HMEN1 | |
| SCHEMBL30702221 | 0.76 | NOTUM (0.53) | NOTUMIMPDH2IMPDH1LTA4HAAK1 | |
| SCHEMBL17295705 | 0.76 | NOTUM (0.53) | NOTUMIMPDH2IMPDH1LTA4HAAK1 | |
| SCHEMBL6820091 | 0.76 | NOTUM (0.40) | NOTUMIMPDH2IMPDH1LTA4HAAK1 | |
| SCHEMBL16414084 | 0.75 | CSNK2A1 (0.49) | NOTUMIMPDH2IMPDH1LTA4HAAK1 | |
| SCHEMBL27330522 | 0.75 | NOTUM (0.56) | NOTUMIMPDH2IMPDH1LTA4HMEN1 | |
| SCHEMBL27589217 | 0.72 | IMPDH2 (0.36) | NOTUMIMPDH2IMPDH1AAK1MEN1 | |
| SCHEMBL6367662 | 0.70 | AAK1 (0.51) | NOTUMIMPDH2IMPDH1LTA4HAAK1 |
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 |