Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300289 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8437635 | 0.78 | PKM (0.38) | ALDH1A1PKMPOLB | |
| SCHEMBL8291585 | 0.78 | CA12 (0.37) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8291602 | 0.68 | CA12 (0.36) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8296289 | 0.68 | CA12 (0.36) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL29451695 | 0.68 | ALDH1A1 (0.52) | ALDH1A1PKMCYP3A4MEN1POLB | |
| SCHEMBL8292037 | 0.65 | GRIA1 (0.44) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8291724 | 0.65 | KDM4E (0.47) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16364899 | 0.63 | ALDH1A1 (0.55) | ALDH1A1PKMCYP3A4MEN1POLB | |
| SCHEMBL1439407 | 0.62 | GAA (0.58) | ALDH1A1CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676397-B1 | Oxopyridinylquinoxaline derivatives | SHIONOGI & CO (JP) | 1999-10-20 | — | — | EP | disclosed |
| US-5677305-A | NERVOUS SYSTEM DISORDERS | SHIONOGI & CO., LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0676397-A1 | Oxopyridinylquinoxaline derivatives | SHIONOGI & CO., LTD. (JP) | 1995-10-11 | — | — | EP | disclosed |