Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.31 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.31 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.31 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.31 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16964638 | 0.80 | TSHR (0.41) | ALDH1A1 | |
| SCHEMBL14372530 | 0.77 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL15116706 | 0.75 | ATP1A1 (0.40) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL18084128 | 0.75 | ATP1A1 (0.40) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL13949109 | 0.75 | ATP1A1 (0.40) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL24150596 | 0.75 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL7857566 | 0.74 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL1147540 | 0.74 | MAPT (0.49) | ALDH1A1 | |
| SCHEMBL17026268 | 0.74 | HRH3 (0.40) | ALDH1A1 | |
| SCHEMBL17037412 | 0.74 | HRH3 (0.40) | ALDH1A1 |
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-7888359-B2 | Cyclohexyl or piperidinyl carboxamide antibiotic derivatives | ACTELION PHARMACEUTICAL LTD. (CH) | 2011-02-15 | — | — | US | disclosed |