Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 4/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8231619 | 0.82 | HTR6 (0.55) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL6257989 | 0.82 | HTR6 (0.55) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL8906934 | 0.82 | CA2 (0.65) | CA2CYP1A2TSHRKDM4ENSD2 | |
| Hydrochloric Acid SCHEMBL6256596 | 0.81 | HTR6 (0.53) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL4731653 | 0.80 | CYP1A2 (0.55) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL14900188 | 0.79 | HTR6 (0.51) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL2117356 | 0.75 | CA2 (0.67) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL8683842 | 0.75 | HTR6 (0.60) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL6265807 | 0.75 | HTR6 (0.60) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL29469920 | 0.75 | CA2 (0.67) | HTR6CA2CA12CA1CA4 |
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-2118076-A1 | QUINOXALINE COMPOUNDS AND USE THEREOF | Merck Serono S.A. (CH) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008101979-A1 | QUINOXALINE COMPOUNDS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2008-08-28 | — | — | WO | disclosed |