Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12273631 | 0.88 | CYP2A6 (0.44) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL1373429 | 0.84 | HSD17B10 (0.50) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL21819736 | 0.82 | ALDH1A1 (0.45) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL20598947 | 0.80 | HPRT1 (0.50) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL1934750 | 0.80 | CYP2A6 (0.54) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL30887587 | 0.80 | CYP2A6 (0.54) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL24473166 | 0.79 | HPRT1 (0.54) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL28570139 | 0.79 | ALDH1A1 (0.45) | CYP2A6CYP1A2AHRERBB2FYN | |
| SCHEMBL17658578 | 0.78 | CYP2D6 (0.49) | CYP2A6CYP1A2AHRMAOAHSD17B10 | |
| SCHEMBL31222434 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP1A2AHRERBB2FYN |
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-116655448-A | Preparation method of phenanthrene derivative | 湖北尚赛光电材料有限公司 | 2023-08-29 | — | — | CN | disclosed |