Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PGK1 | P00558 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29589930 | 0.85 | ENPP1 (0.51) | ENPP1HTTPGK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15819368 | 0.85 | ENPP1 (0.51) | ENPP1HTTPGK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2725540 | 0.85 | ENPP1 (0.48) | ENPP1HTTPGK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8857662 | 0.83 | NTSR1 (0.51) | ENPP1HTTPGK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15818666 | 0.83 | ENPP1 (0.46) | ENPP1HTTPGK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13763636 | 0.82 | PDE3B (0.43) | HTTPGK1NQO2ALDH1A1ELANE | |
| SCHEMBL6119690 | 0.81 | ENPP1 (0.44) | ENPP1HTTPGK1ELANEPDE10A | |
| SCHEMBL15819113 | 0.81 | NTSR1 (0.52) | ENPP1HTTPGK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15819394 | 0.79 | KDM1A (0.44) | ENPP1HTTPGK1PDE10A | |
| SCHEMBL15819581 | 0.79 | NTSR1 (0.55) | ENPP1HTTSMN1; SMN2ALDH1A1PDE3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012052556-A1 | NOVEL HALOALKOXYQUINAZOLINES, AND PREPARATION AND USE THEREOF | UNIVERSITÄT LEIPZIG (DE) | 2012-04-26 | — | — | WO | disclosed |
| WO-2012052556-A1 | NOVEL HALOALKOXYQUINAZOLINES, AND PREPARATION AND USE THEREOF | UNIVERSITÄT LEIPZIG (DE) | 2012-04-26 | — | — | WO | disclosed |