Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28713191 | 0.89 | ADORA3 (0.37) | ABCG2ABCC1ENPP1ALDH1A1KDM4E | |
| SCHEMBL28696774 | 0.85 | ABCG2 (0.43) | ABCG2ENPP1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL6579959 | 0.81 | ABCG2 (0.41) | ABCG2ABCC1ENPP1ALDH1A1KDM4E | |
| SCHEMBL13145980 | 0.80 | CA1 (0.44) | ENPP1ALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL25272516 | 0.78 | CA1 (0.46) | ABCG2KDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL27753123 | 0.74 | ADORA3 (0.43) | ABCG2ABCC1ALDH1A1KDM4ERAB9A | |
| SCHEMBL28078075 | 0.74 | ALOX5 (0.43) | ABCG2ABCC1ENPP1ALDH1A1KDM4E | |
| SCHEMBL160600 | 0.74 | ENPP1 (0.39) | ABCG2ABCC1ENPP1ALDH1A1KDM4E | |
| SCHEMBL25277498 | 0.74 | ALDH1A1 (0.43) | ABCG2ABCC1ALDH1A1KDM4ERAB9A | |
| SCHEMBL23084980 | 0.74 | ENPP1 (0.44) | ABCG2ENPP1ALDH1A1KDM4ERAB9A |
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-114149307-A | Bromopyrene intermediate and derivative, preparation method and application thereof | 广东工业大学 | 2022-03-08 | — | — | CN | disclosed |