Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL13461648 | 0.79 | CYP3A4 (0.41) | CYP3A4ALDH1A1HPGDGAASMN1; SMN2 | |
| SCHEMBL28222776 | 0.78 | TSHR (0.50) | CYP3A4TSHRALDH1A1MAPK1CA12 | |
| SCHEMBL2653697 | 0.78 | TSHR (0.39) | CYP3A4TSHRALDH1A1CYP2D6SLC6A2 | |
| SCHEMBL20226666 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL15084219 | 0.76 | TSHR (0.48) | CYP3A4TSHRALDH1A1MAPK1CA12 | |
| SCHEMBL13755086 | 0.72 | — | — | |
| SCHEMBL20226629 | 0.71 | GAA (0.40) | CYP3A4TSHRALDH1A1MAPK1CA12 | |
| SCHEMBL7332889 | 0.71 | LMNA (0.38) | CYP3A4TSHRALDH1A1MAPK1CA12 | |
| SCHEMBL17142880 | 0.69 | ALDH1A1 (0.43) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL13749009 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2773616-B1 | PESTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-02-19 | — | — | EP | disclosed |