Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.49 |
| ▸ | FPR2 | P25090 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | VCP | P55072 | 4/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1733485 | 0.90 | VCP (0.49) | SCN9AFPR2KDM4ETP53VCP | |
| SCHEMBL1734296 | 0.88 | KDM4E (0.48) | SCN9AFPR2ALDH1A1HPGDKDM4E | |
| SCHEMBL1734498 | 0.83 | VCP (0.47) | SCN9AFPR2ALDH1A1HPGDVCP | |
| SCHEMBL1734499 | 0.81 | VCP (0.67) | SCN9AALDH1A1HPGDKDM4ETP53 | |
| SCHEMBL1734297 | 0.78 | TP53 (0.55) | SCN9AFPR2ALDH1A1HPGDKDM4E | |
| SCHEMBL1735520 | 0.76 | KDM4E (0.56) | SCN9AFPR2ALDH1A1HPGDKDM4E | |
| SCHEMBL1735530 | 0.76 | ADORA1 (0.46) | VCPADORA3ADORA2B | |
| SCHEMBL1734431 | 0.72 | KDM4E (0.51) | SCN9AFPR2ALDH1A1HPGDKDM4E | |
| SCHEMBL1733597 | 0.72 | TP53 (0.51) | SCN9AFPR2ALDH1A1HPGDKDM4E | |
| SCHEMBL1734563 | 0.71 | KDM4E (0.51) | ALDH1A1HPGDKDM4ETP53GAA |
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-1891018-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2011-11-16 | — | — | EP | claimed |
| WO-2011131686-A1 | A THERMALLY CONTROLLED ASSEMBLY | NAPATECH A/S (DK) | 2011-10-27 | — | — | WO | claimed |