Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | STAT3 | P40763 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16619075 | 1.00 | CA12 (0.39) | CA12CA1CA9CYP2D6ALDH1A1 | |
| SCHEMBL31022659 | 0.95 | PTGS2 (0.39) | CA12CA1CA9CYP2D6ALDH1A1 | |
| SCHEMBL516227 | 0.88 | TAAR1 (0.36) | ALDH1A1PTGS2PTGS1MEN1KMT2A | |
| SCHEMBL478439 | 0.88 | TAAR1 (0.36) | ALDH1A1PTGS2PTGS1MEN1KMT2A | |
| SCHEMBL29488092 | 0.88 | TAAR1 (0.36) | ALDH1A1PTGS2PTGS1MEN1KMT2A | |
| SCHEMBL29790344 | 0.88 | TAAR1 (0.36) | ALDH1A1PTGS2PTGS1MEN1KMT2A | |
| SCHEMBL1648239 | 0.87 | GAA (0.36) | ALDH1A1PTGS2PTGS1MEN1KMT2A | |
| SCHEMBL17453417 | 0.85 | KMT2A (0.42) | ALDH1A1MEN1KMT2A | |
| SCHEMBL2486732 | 0.85 | CYP2D6 (0.39) | CA12CA1CA9CYP2D6ALDH1A1 | |
| SCHEMBL29729570 | 0.83 | CA12 (0.38) | CA12CA1CA9CYP2D6ALDH1A1 |
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-2017042380-A1 | NOVEL 5-AMINO-2-THIOIMIDAZOLE COMPOUNDS AND THEIR USE | UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) | 2017-03-16 | — | — | WO | disclosed |