Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1997269 | 0.91 | CA1 (0.57) | CA1CA2CA9HSD11B1PKM | |
| Hydrogen Sulfide SCHEMBL5082548 | 0.89 | CA1 (0.55) | CA1CA2CA9HSD11B1PKM | |
| Iodide SCHEMBL1859836 | 0.89 | CA1 (0.55) | CA1CA2CA9HSD11B1PKM | |
| SCHEMBL12960114 | 0.85 | CA2 (0.47) | CA1CA2CA9CXCR2CXCR1 | |
| SCHEMBL3842511 | 0.85 | CA2 (0.47) | CA1CA2CA9CXCR2CXCR1 | |
| SCHEMBL2832043 | 0.83 | CA1 (0.63) | CA1CA2CA9HSD11B1CXCR2 | |
| Biphenyl SCHEMBL115843 | 0.82 | BACE1 (0.53) | CA1CA2CA9PKMCXCR2 | |
| SCHEMBL20924560 | 0.82 | PKM (0.68) | CA1CA2CA9HSD11B1PKM | |
| Hydrogen Sulfide SCHEMBL16581552 | 0.81 | CA1 (0.61) | CA1CA2CA9HSD11B1CXCR2 | |
| Biphenyl SCHEMBL4512202 | 0.81 | BACE1 (0.51) | CA1CA2CA9PKMCXCR2 |
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-2012032211-A1 | DENDRITIC STRUCTURES BASED ON TETRAARYLMETHANE | UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) | 2012-03-15 | — | — | WO | disclosed |