Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28142747 | 0.85 | IDO1 (0.40) | ALDH1A1KLK7HTTIDO1TDO2 | |
| SCHEMBL17902422 | 0.84 | AOC3 (0.38) | AOC3DPP4DPP8DPP9DPP7 | |
| SCHEMBL21339230 | 0.84 | DPP4 (0.40) | AOC3DPP4DPP8DPP9DPP7 | |
| SCHEMBL21338898 | 0.84 | DPP4 (0.40) | AOC3DPP4DPP8DPP9DPP7 | |
| SCHEMBL721557 | 0.83 | HCAR2 (0.51) | DPP4ALDH1A1KLK7 | |
| SCHEMBL19581639 | 0.83 | HCAR2 (0.51) | DPP4ALDH1A1KLK7 | |
| SCHEMBL19581641 | 0.83 | HCAR2 (0.51) | DPP4ALDH1A1KLK7 | |
| SCHEMBL721558 | 0.83 | HCAR2 (0.51) | DPP4ALDH1A1KLK7 | |
| SCHEMBL28267290 | 0.80 | ALDH1A1 (0.35) | DPP4DPP8DPP9DPP7ALDH1A1 | |
| SCHEMBL28649908 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HTTIDO1TDO2HDAC3 |
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-109503637-A | For treating the noval chemical compound of the disease of helminth | 安纳考尔医药公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-109153688-A | Oxaborolidine esters and uses thereof | 安纳考尔医药公司 | 2019-01-04 | — | — | CN | disclosed |