Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL29729570 | 0.88 | CA12 (0.38) | CYP2D6CA12CA1CA9ENPP1 | |
| SCHEMBL16619075 | 0.85 | CA12 (0.39) | CYP2D6CA12CA1CA9STAT3 | |
| SCHEMBL18613992 | 0.85 | CA12 (0.39) | CYP2D6CA12CA1CA9STAT3 | |
| SCHEMBL30195988 | 0.84 | ALDH1A1 (0.38) | CA1ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL3339137 | 0.84 | HSD17B10 (0.39) | ALDH1A1MEN1KMT2AGAAPOLB | |
| Ammonia Solution, Strong SCHEMBL28142626 | 0.82 | HSD17B10 (0.38) | ALDH1A1MEN1KMT2AGAAPOLB | |
| SCHEMBL31022659 | 0.81 | PTGS2 (0.39) | CYP2D6CA12CA1CA9STAT3 | |
| SCHEMBL156710 | 0.79 | GAA (0.46) | CYP2D6CA12CA1CA9STAT3 | |
| Ammonia Solution, Strong SCHEMBL28142625 | 0.78 | GAA (0.45) | CYP2D6CA12CA1CA9STAT3 | |
| SCHEMBL18044488 | 0.78 | PTGS1 (0.37) | ALDH1A1GAAPOLBMAPTGPR55 |
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-2011109596-A1 | SYNTHESIS OF CHIRALLY PURIFIED SUBSTITUTED BENZOTHIAZOLE DIAMINES | KNOPP NEUROSCIENCES (US) | 2011-09-09 | — | — | WO | disclosed |