Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL110531 | 0.81 | CA1 (0.60) | CA1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL14350722 | 0.78 | CA1 (0.57) | CA1CYP1A2TRPA1ALDH1A1 | |
| Fluoride SCHEMBL28026874 | 0.78 | CA1 (0.57) | CA1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL12182480 | 0.75 | — | — | |
| Alcohol SCHEMBL7119110 | 0.74 | CA1 (0.52) | CA1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL16944213 | 0.72 | CYP19A1 (0.41) | CA1MAPTHSD17B10MEN1USP2 | |
| SCHEMBL11257607 | 0.72 | CA1 (0.50) | CA1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL2530430 | 0.72 | CA1 (0.50) | CA1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL20680924 | 0.72 | — | — | |
| SCHEMBL109486 | 0.72 | CA1 (0.50) | CA1MAPTTRPA1ALDH1A1CYP3A4 |
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-2001079177-A1 | CYCLIC DIAZA COMPOUNDS FOR TREATING NEURODEGENERATIVE DISORDERS | GPI NIL HOLDINGS, INC. (US) | 2001-10-25 | — | — | WO | disclosed |