Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.41 |
| ▸ | CA2 | P00918 | 10/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1649052 | 0.86 | CA1 (0.41) | CA1CA2CA12CA9CYP1A1 | |
| SCHEMBL1648412 | 0.84 | CA1 (0.40) | CA1CA2CA12CA9CYP1A1 | |
| SCHEMBL1648181 | 0.83 | CA1 (0.40) | CA1CA2CA12CA9CYP1A1 | |
| Hydrochloric Acid SCHEMBL1648366 | 0.82 | FABP4 (0.33) | POLBFABP4FABP5 | |
| SCHEMBL1648648 | 0.81 | ALDH1A1 (0.35) | POLBALDH1A1METAP2FABP4FABP5 | |
| Hydrochloric Acid SCHEMBL14717753 | 0.80 | ALDH1A1 (0.34) | POLBALDH1A1METAP2FABP4FABP5 | |
| SCHEMBL1648204 | 0.79 | CA12 (0.37) | CA1CA2CA12CA9CYP1A1 | |
| SCHEMBL1649176 | 0.77 | METAP2 (0.49) | CA1CA2CA12CA9CYP1A1 | |
| SCHEMBL6844869 | 0.77 | ALDH1A1 (0.40) | CA1CA2CA12CA9CYP1A1 | |
| SCHEMBL1648514 | 0.75 | MALT1 (0.42) | CA1CA2CA12CA9ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2486004-A2 | SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME | Zafgen Corporation (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044506-A2 | SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME | ZAFGEN CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |