Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.37 |
| ▸ | CA1 | P00915 | 11/20 | 0.37 |
| ▸ | CA9 | Q16790 | 11/20 | 0.37 |
| ▸ | CA12 | O43570 | 9/20 | 0.37 |
| ▸ | CA5A | P35218 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL11062765 | 0.75 | AGTR1 (0.50) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL9762556 | 0.72 | — | — | |
| SCHEMBL29793430 | 0.71 | ALDH1A1 (0.37) | MAPTALDH1A1HPGDALOX15 | |
| SCHEMBL12441774 | 0.71 | MAPT (0.35) | MAPTALDH1A1HPGDALOX15 | |
| Sulfuric Acid SCHEMBL29169283 | 0.70 | BAZ2B (0.35) | CA2CA1CA9CA12KMT2A | |
| SCHEMBL1187005 | 0.70 | — | — | |
| SCHEMBL11825958 | 0.68 | — | — | |
| SCHEMBL3187131 | 0.68 | — | — | |
| SCHEMBL3188625 | 0.68 | — | — | |
| SCHEMBL9517067 | 0.66 | ADRA2A (0.33) | MAPTALDH1A1HPGDALOX15 |
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-2014030142-A2 | NITROIMIDAZOLE COMPOUNDS AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2014-02-27 | — | — | WO | disclosed |