Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13303091 | 0.77 | TSHR (0.42) | CA12GAAMGAMSIMGAM2 | |
| Iodide SCHEMBL30042709 | 0.75 | CA12 (0.57) | CA12CA1CA2CA9GAA | |
| SCHEMBL65107 | 0.74 | CA12 (0.61) | CA12CA1CA2CA9GAA | |
| SCHEMBL13303099 | 0.74 | GAA (0.38) | CA12CA1CA2CA9GAA | |
| SCHEMBL12589581 | 0.72 | CA12 (0.59) | CA12CA1CA2CA9GAA | |
| SCHEMBL196815 | 0.72 | — | — | |
| SCHEMBL450298 | 0.72 | — | — | |
| SCHEMBL708934 | 0.70 | CA12 (0.57) | CA12CA1CA2CA9GAA | |
| SCHEMBL264830 | 0.70 | CA12 (0.57) | CA12CA1CA2CA9GAA | |
| Hydrochloric Acid SCHEMBL8143027 | 0.70 | CA12 (0.57) | CA12CA1CA2CA9GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150940-B1 | N(CF 3?) 2?-ANION GENERATION AND ITS USE | MERCK PATENT GMBH (DE) | 2004-10-27 | — | — | EP | disclosed |