Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL28065244 | 0.90 | HPRT1 (0.52) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL2289477 | 0.81 | KDM4E (0.50) | ALDH1A1HSD17B10CYP1A2HPGDTSHR | |
| SCHEMBL26260010 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP1A2HPGDTSHR | |
| SCHEMBL13562857 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Chrysene SCHEMBL18546560 | 0.74 | HSD17B10 (0.75) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Benzo[E]Pyrene SCHEMBL9998154 | 0.74 | HSD17B10 (0.84) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL2233815 | 0.74 | HSD17B10 (0.75) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| SCHEMBL26259996 | 0.74 | AURKA (0.48) | AURKAKDRKDM4EALPLGAA | |
| Triphenylene SCHEMBL5783342 | 0.73 | ALDH1A1 (0.62) | ALDH1A1HSD17B10CYP1A2HPGDTHRB | |
| Chrysene SCHEMBL16034318 | 0.73 | ALDH1A1 (0.68) | ALDH1A1HSD17B10CYP1A2HPGDTHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115947727-A | Preparation method and application of azaolympilene dye molecule | 天津大学 | 2023-04-11 | — | — | CN | claimed |
| CN-115947727-A | Preparation method and application of azaolympilene dye molecule | 天津大学 | 2023-04-11 | — | — | CN | disclosed |