Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL51694 | 0.87 | — | — | |
| SCHEMBL240787 | 0.87 | — | — | |
| SCHEMBL28090547 | 0.84 | CYP2A6 (0.47) | CYP2A6ALOX12HSD17B10TDP1MAPT | |
| Diphenylamine SCHEMBL28966877 | 0.84 | HSD17B10 (0.50) | ALOX12HSD17B10TDP1MAPTKDM4E | |
| SCHEMBL1172873 | 0.82 | CYP2A6 (0.39) | CYP2A6ALOX12HSD17B10TDP1ALDH1A1 | |
| Bromide SCHEMBL29262820 | 0.81 | CYP2A6 (0.44) | CYP2A6ALOX12HSD17B10TDP1MAPT | |
| Formaldehyde SCHEMBL28853578 | 0.79 | CYP2A6 (0.41) | CYP2A6ALOX12HSD17B10TDP1ALDH1A1 | |
| Naphthalene SCHEMBL31207189 | 0.77 | CYP2A6 (0.67) | CYP2A6ALOX12MGLLCA1CA2 | |
| Naphthalene SCHEMBL5485057 | 0.77 | CYP2A6 (0.67) | CYP2A6ALOX12MGLLCA1CA2 | |
| SCHEMBL29262819 | 0.77 | CYP2A6 (0.39) | CYP2A6ALOX12HSD17B10TDP1ALDH1A1 |
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-115636823-B | Organic electroluminescent compound and application thereof | 上海和辉光电股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115636823-A | Organic electroluminescent compound and application thereof | 上海和辉光电股份有限公司 | 2023-01-24 | — | — | CN | disclosed |