Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA7 | P43166 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10549564 | 0.84 | CES2 (0.54) | HSP90AB1CA12CA1CA2CA7 | |
| SCHEMBL38825 | 0.82 | CA12 (0.55) | HSP90AB1CA12CA1CA2CA7 | |
| SCHEMBL6781249 | 0.82 | CA12 (0.49) | HSP90AB1CA12CA1CA2CA7 | |
| SCHEMBL28164007 | 0.81 | HSP90AA1 (0.41) | HSP90AB1HSP90AA1MEN1CYP3A4KMT2A | |
| SCHEMBL2976652 | 0.81 | ACE2 (0.44) | HSP90AB1HSP90AA1CA1CA2ALDH1A1 | |
| SCHEMBL1712157 | 0.79 | CA1 (0.42) | HSP90AB1CA12CA1CA2CA7 | |
| SCHEMBL12470240 | 0.78 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15855907 | 0.78 | ACE2 (0.57) | HSP90AB1HSP90AA1CA12CA1CA2 | |
| SCHEMBL8524779 | 0.77 | CA12 (0.70) | HSP90AA1CA12CA1CA2CA7 | |
| SCHEMBL31632660 | 0.75 | IRAK4 (0.55) | HSP90AB1HSP90AA1CA1CA2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104352492-A | Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient | MSD KK | 2015-02-18 | — | — | CN | disclosed |