Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 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 | |
|---|---|---|---|---|
| SCHEMBL7797255 | 0.89 | KMT2A (0.57) | KMT2ACA1CA2RXRARXRB | |
| Phenol SCHEMBL28077940 | 0.88 | THRB (0.40) | KMT2ACA12CA1CA2CA7 | |
| SCHEMBL34034 | 0.87 | THRB (0.46) | KMT2APKMALDH1A1THRBTSHR | |
| Water SCHEMBL28126876 | 0.86 | THRB (0.45) | KMT2APKMALDH1A1THRBTSHR | |
| SCHEMBL9771285 | 0.86 | CA12 (0.41) | KMT2ACA12CA1CA2CA7 | |
| Acrylic Acid SCHEMBL7185233 | 0.84 | THRB (0.44) | KMT2APKMALDH1A1THRBTSHR | |
| Acrylic Acid SCHEMBL28252917 | 0.84 | THRB (0.44) | KMT2APKMALDH1A1THRBTSHR | |
| SCHEMBL28010865 | 0.83 | THRB (0.43) | KMT2APKMALDH1A1THRB | |
| SCHEMBL2402189 | 0.82 | ELANE (0.50) | KMT2ASRD5A2ALDH1A1 | |
| Ethylene Glycol SCHEMBL7182341 | 0.82 | THRB (0.45) | KMT2APKMALDH1A1THRBTSHR |
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-101442908-B | The tick of preparation and insect repellent composition | 纳幕尔杜邦公司 | 2016-09-28 | — | — | CN | disclosed |