Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MASP2 | O00187 | 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 | |
|---|---|---|---|---|
| SCHEMBL11513163 | 0.87 | CYP3A4 (0.53) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11513950 | 0.83 | CYP3A4 (0.61) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11514849 | 0.83 | ALDH1A1 (0.44) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL9345956 | 0.82 | CYP3A4 (0.56) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11201388 | 0.82 | MAPK1 (0.62) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11512814 | 0.81 | ALDH1A1 (0.35) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11514125 | 0.81 | TDP1 (0.70) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11513263 | 0.81 | TDP1 (0.51) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL11205360 | 0.80 | CYP3A4 (0.66) | CYP3A4TDP1MAPK1TSHRMAPT | |
| SCHEMBL10815711 | 0.77 | MAPK1 (0.50) | CYP3A4TDP1MAPK1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4087460-A | HERBICIDES, PLANT GROWTH REGULATORS, CHEMICAL INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1978-05-02 | — | — | US | disclosed |