Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL73934 | 0.83 | — | — | |
| SCHEMBL19838559 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL5652646 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29144528 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL29014480 | 0.80 | — | — | |
| Cyclohexane SCHEMBL9980447 | 0.75 | AURKA (0.42) | ALDH1A1AURKAAURKBINCENPFKBP5 | |
| SCHEMBL15577261 | 0.73 | — | — | |
| Oxirane SCHEMBL28467741 | 0.71 | — | — | |
| Formamide SCHEMBL28513591 | 0.71 | — | — | |
| Bromobenzene SCHEMBL1542 | 0.71 | — | — |
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-108828220-A | The detection card and preparation method thereof of Benzodiazepine substance in a kind of detection health care product | 杭州泰熙生物技术有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-105189484-B | Cxcr7 antagonists | 凯莫森特里克斯股份有限公司 | 2018-05-04 | — | — | CN | disclosed |