Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 3/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL17234501 | 1.00 | ECE1 (0.37) | ECE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL23566644 | 0.82 | ECE1 (0.35) | ECE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17234496 | 0.82 | ECE1 (0.35) | ECE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL24241848 | 0.82 | ECE1 (0.38) | ECE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17224704 | 0.78 | GRM8 (0.39) | ECE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17224701 | 0.78 | GRM8 (0.39) | ECE1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL23566571 | 0.77 | CA1 (0.33) | ECE1CA1CA2 | |
| SCHEMBL17234493 | 0.77 | CA1 (0.33) | ECE1CA1CA2 | |
| SCHEMBL23586969 | 0.77 | ECE1 (0.35) | ECE1ITGB3ITGA2BCA1CA2 | |
| SCHEMBL17234500 | 0.76 | SIRT5 (0.40) | ECE1ITGB3ITGA2BKDM4E |
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-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |