Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19 | 1.00 | — | — | |
| SCHEMBL4244702 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1ALOX12CA1 | |
| SCHEMBL22578023 | 0.96 | — | — | |
| SCHEMBL351752 | 0.96 | — | — | |
| SCHEMBL4344194 | 0.96 | — | — | |
| SCHEMBL9419801 | 0.96 | — | — | |
| SCHEMBL2548738 | 0.96 | — | — | |
| SCHEMBL6556176 | 0.96 | — | — | |
| SCHEMBL22129846 | 0.96 | — | — | |
| SCHEMBL22798647 | 0.96 | — | — |
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-103553886-B | Shuttle back and forth additive for the oxidoreduction of the Polyetherfunctional of lithium ion battery | U芝加哥阿尔贡股份有限公司 | 2016-07-06 | — | — | CN | disclosed |