Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL344 | 0.95 | CA2 (0.41) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL27892503 | 0.95 | CA2 (0.41) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL6668489 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL581158 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7628909 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Fluoride SCHEMBL1594462 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL11799381 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL9473581 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL15540711 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL11421274 | 0.91 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 |
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-2003059991-A1 | CHEMOSELECTIVE DENDRIMERIC COMPOUNDS FOR USE IN CHEMICAL SENSORS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2003-07-24 | — | — | WO | disclosed |