Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16822385 | 0.87 | CYP1A2 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15673310 | 0.83 | CYP1A2 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2058752 | 0.79 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL7171942 | 0.79 | TRPM4 (0.61) | CYP1A2ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL14241623 | 0.79 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15673108 | 0.79 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27769578 | 0.79 | ALDH1A1 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5162965 | 0.78 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzene SCHEMBL28738256 | 0.77 | CYP1A2 (0.59) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27367910 | 0.77 | ALDH1A1 (0.52) | CYP1A2ERBB2FYNMAOAACHE |
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-108250174-B | Naphthopyran compounds and preparation method thereof | 中国科学院兰州化学物理研究所苏州研究院 | 2021-09-10 | — | — | CN | disclosed |