Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18472613 | 0.97 | NFE2L2 (0.61) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL166380 | 0.97 | NFE2L2 (0.61) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL28755848 | 0.85 | TSHR (0.52) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL13715600 | 0.84 | NFE2L2 (0.48) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL4332893 | 0.84 | NFE2L2 (0.48) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL19514870 | 0.83 | NFE2L2 (0.49) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL2655152 | 0.82 | NFE2L2 (0.47) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL56900 | 0.82 | NFE2L2 (0.47) | NFE2L2PTGS1CA2CA12CA1 | |
| SCHEMBL24306428 | 0.81 | NFE2L2 (0.46) | NFE2L2PTGS1ACHETSHRALDH1A1 | |
| SCHEMBL18356035 | 0.81 | NFE2L2 (0.46) | NFE2L2PTGS1CA2CA12CA1 |
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-105272967-B | Triazines epidermal growth factor receptor inhibitor and its application | 南京圣和药业股份有限公司 | 2019-05-24 | — | — | CN | disclosed |