Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29957624 | 0.79 | CYP2A6 (0.38) | CYP2A6ALDH1A1TSHRERN1 | |
| SCHEMBL14100428 | 0.68 | ERN1 (0.38) | CYP2A6ALDH1A1TSHRERN1KDM4E | |
| SCHEMBL1133097 | 0.67 | ALDH1A1 (0.38) | CYP2A6ALDH1A1ERN1KDM4E | |
| SCHEMBL9960823 | 0.62 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4E | |
| SCHEMBL9221 | 0.62 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4E | |
| SCHEMBL1108282 | 0.61 | KDM4E (0.40) | ALDH1A1KDM4E | |
| SCHEMBL12499910 | 0.58 | — | — | |
| SCHEMBL6747787 | 0.58 | ALDH1A1 (0.53) | CYP2A6ALDH1A1TSHRERN1KDM4E | |
| SCHEMBL1489158 | 0.57 | TDP1 (0.50) | ALDH1A1TSHRERN1KDM4E | |
| SCHEMBL752776 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115785693-B | N-type organic dye of 1, 2-benzothiazine, preparation method and application | 南京邮电大学 | 2023-08-15 | — | — | CN | claimed |
| CN-115785693-A | N-type organic dye of 1, 2-benzophenothiazine, preparation method and application | 南京邮电大学 | 2023-03-14 | — | — | CN | claimed |
| CN-115785693-B | N-type organic dye of 1, 2-benzothiazine, preparation method and application | 南京邮电大学 | 2023-08-15 | — | — | CN | disclosed |