Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 1/20 | 0.94 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.94 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.94 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzene Selenoic Acid SCHEMBL1440596 | 0.97 | — | — | |
| Benzene Selenoic Acid SCHEMBL8752795 | 0.94 | BBOX1 (0.94) | BBOX1EHMT2EHMT1TSHRCES2 | |
| Benzene Selenoic Acid SCHEMBL27636752 | 0.94 | BBOX1 (0.94) | BBOX1EHMT2EHMT1TSHRCES2 | |
| Benzene Selenoic Acid SCHEMBL11047165 | 0.83 | BBOX1 (0.73) | BBOX1EHMT2EHMT1 | |
| SCHEMBL158572 | 0.71 | BBOX1 (0.58) | BBOX1EHMT2EHMT1TSHRCES2 | |
| SCHEMBL7379226 | 0.71 | — | — | |
| SCHEMBL28189493 | 0.69 | BBOX1 (0.55) | BBOX1EHMT2EHMT1TSHRCES2 | |
| SCHEMBL4405136 | 0.69 | BBOX1 (0.55) | BBOX1EHMT2EHMT1TSHRCES2 | |
| SCHEMBL8920253 | 0.67 | BBOX1 (0.52) | BBOX1EHMT2EHMT1CES2CES1 | |
| SCHEMBL6901728 | 0.67 | BBOX1 (0.52) | BBOX1EHMT2EHMT1TSHRCES2 |
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-106673974-A | Method for preparing aldehyde ketone by alcohol oxidation | 扬州大学 | 2017-05-17 | — | — | CN | disclosed |