Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29419845 | 0.88 | ADORA3 (0.46) | ALDH1A1KDM4EMAPTHPGDLMNA | |
| SCHEMBL28078075 | 0.85 | ALOX5 (0.43) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| Methoxymethane SCHEMBL27988234 | 0.84 | ALOX5 (0.42) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL30307098 | 0.84 | NTRK1 (0.47) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL29227267 | 0.82 | CYP1A2 (0.37) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL6579959 | 0.78 | ABCG2 (0.41) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL27753123 | 0.77 | ADORA3 (0.43) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL160600 | 0.77 | ENPP1 (0.39) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL28203235 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL15679916 | 0.76 | ABL1 (0.59) | ALDH1A1KDM4EMAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023103611-A1 | BROMOPYRENE INTERMEDIATE AND DERIVATIVES THEREOF, PREPARATION METHOD, AND USE | 广东工业大学 | 2023-06-15 | — | — | WO | disclosed |