Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30554744 | 0.85 | NTRK1 (0.38) | NTRK1NTRK2ABCG2ALDH1A1MEN1 | |
| SCHEMBL29227272 | 0.85 | NTRK1 (0.38) | NTRK1NTRK2ABCG2ALDH1A1MEN1 | |
| SCHEMBL25277498 | 0.82 | ALDH1A1 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28078075 | 0.82 | ALOX5 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL30307098 | 0.81 | NTRK1 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| Methoxymethane SCHEMBL27988234 | 0.81 | ALOX5 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29227271 | 0.79 | ABCG2 (0.39) | CYP1A2NTRK1NTRK2ABCG2ENPP1 | |
| SCHEMBL30554741 | 0.79 | ABCG2 (0.39) | CYP1A2NTRK1NTRK2ABCG2ENPP1 | |
| SCHEMBL6579959 | 0.77 | ABCG2 (0.41) | CYP1A2CYP2A6ABCG2ABCB1CYP1A1 | |
| SCHEMBL29419845 | 0.76 | ADORA3 (0.46) | ALDH1A1MEN1GAAKMT2AHPGD |
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-116535293-A | Y-type bromopyrene intermediate and derivative, preparation method and application thereof | 广东工业大学 | 2023-08-04 | — | — | CN | disclosed |