Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.47 |
| ▸ | RRM1 | P23921 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.45 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8366213 | 0.93 | DPP7 (0.49) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL27808520 | 0.91 | DPP7 (0.56) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Bicarbonate SCHEMBL18277700 | 0.82 | ALDH1A1 (0.64) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL28014548 | 0.81 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL10704212 | 0.81 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL7895425 | 0.81 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL28860545 | 0.81 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL18237031 | 0.81 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL9782794 | 0.81 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL28159451 | 0.80 | GNAI3 (0.45) | ALDH1A1GNAI3GNAO1GNAI1RRM1 |
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-109563103-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | disclosed |