Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1165959 | 0.72 | BBOX1 (0.50) | BBOX1EHMT2EHMT1ALDH1A1TSHR | |
| SCHEMBL6901728 | 0.69 | BBOX1 (0.52) | BBOX1EHMT2EHMT1ALDH1A1TSHR | |
| Benzene Selenoic Acid SCHEMBL11047165 | 0.64 | BBOX1 (0.73) | BBOX1EHMT2EHMT1 | |
| SCHEMBL10866379 | 0.64 | BBOX1 (0.41) | BBOX1EHMT2EHMT1ALDH1A1TSHR | |
| Benzene SCHEMBL28248657 | 0.64 | BBOX1 (0.46) | BBOX1EHMT2EHMT1TSHR | |
| SCHEMBL7379226 | 0.63 | — | — | |
| SCHEMBL158572 | 0.63 | BBOX1 (0.58) | BBOX1EHMT2EHMT1ALDH1A1TSHR | |
| SCHEMBL2858185 | 0.59 | BBOX1 (0.46) | BBOX1EHMT2EHMT1 | |
| Benzene Selenoic Acid SCHEMBL1440596 | 0.59 | — | — | |
| SCHEMBL3142465 | 0.59 | — | — |
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-105384658-B | A kind of method for synthesizing anise nitrile | 扬州大学 | 2017-11-17 | — | — | CN | disclosed |