Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | DRD4 | P21917 | 6/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | POLR1A | O95602 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21245908 | 1.00 | KCNH2 (0.40) | KCNH2DRD2DRD4HTR1ACACNA1H | |
| Hydrochloric Acid SCHEMBL22729329 | 0.99 | KCNH2 (0.39) | KCNH2DRD2DRD4HTR1ACACNA1H | |
| SCHEMBL26864631 | 0.88 | DRD4 (0.49) | KCNH2DRD2DRD4HTR1ACACNA1H | |
| SCHEMBL24269614 | 0.80 | NPSR1 (0.41) | KCNH2CACNA1HCYP2D6POLR1ACYP1A2 | |
| SCHEMBL18233672 | 0.78 | CACNA1H (0.49) | DRD2CACNA1H | |
| SCHEMBL18233674 | 0.78 | CACNA1H (0.49) | DRD2CACNA1H | |
| SCHEMBL22754469 | 0.78 | CACNA1H (0.49) | DRD2CACNA1H | |
| SCHEMBL22729342 | 0.78 | POLR1A (0.39) | KCNH2POLR1ACYP1A2HRH3 | |
| SCHEMBL21244056 | 0.78 | CA12 (0.50) | DRD2DRD4CYP2D6CYP1A2LMNA | |
| SCHEMBL18226089 | 0.78 | POLR1A (0.39) | KCNH2POLR1ACYP1A2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747892-A1 | GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF | Sunshine Lake Pharma Co., Ltd. (CN) | 2020-12-09 | — | — | EP | disclosed |
| WO-2019149178-A1 | GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF | 广东东阳光药业有限公司 | 2019-08-08 | — | — | WO | disclosed |