Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL78183 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL19116226 | 0.82 | KEAP1 (0.46) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL15543742 | 0.82 | KEAP1 (0.42) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL9984008 | 0.82 | TSHR (0.42) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL68449 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5080692 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL28534088 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL944411 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL522652 | 0.79 | CBFB (0.36) | ALDH1A1TSHRCASP1HPGDHSD17B10 | |
| SCHEMBL2471781 | 0.79 | NPSR1 (0.46) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 |
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-3676273-B1 | ZIRCONIUM TEREPHTHALATE-BASED METAL ORGANIC FRAMEWORK WITH OPEN METAL SITES | UNIV CALIFORNIA (US) | 2023-12-13 | — | — | EP | disclosed |
| EP-2415742-A1 | METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR | Sumitomo Chemical Company, Limited (JP) | 2012-02-08 | — | — | EP | disclosed |