Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | RRM1 | P23921 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7725791 | 0.77 | ACHE (0.34) | ACHEUSP2DPP7EPHX1RRM1 | |
| SCHEMBL7725797 | 0.77 | ACHE (0.34) | ACHEUSP2DPP7EPHX1RRM1 | |
| SCHEMBL7724633 | 0.76 | USP2 (0.39) | ACHEUSP2DPP7RRM1 | |
| SCHEMBL7720015 | 0.73 | HPGD (0.43) | TSHR | |
| SCHEMBL7720001 | 0.72 | LMNA (0.48) | TSHR | |
| SCHEMBL7725838 | 0.72 | GAA (0.44) | USP2TSHR | |
| SCHEMBL7724600 | 0.72 | CYP2C9 (0.51) | MMP2 | |
| SCHEMBL7724590 | 0.72 | NAAA (0.40) | TSHR | |
| SCHEMBL7720009 | 0.70 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL15750294 | 0.70 | VNN1 (0.37) | PTGS1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6403818-B1 | ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND | EISAI CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |