Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 3/20 | 0.34 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9686898 | 0.87 | HMGCR (0.35) | ALDH1A1GAATDP1HMGCRKDM4E | |
| SCHEMBL9280239 | 0.80 | RXFP1 (0.45) | ALDH1A1PKM | |
| SCHEMBL9687911 | 0.78 | HMGCR (0.37) | ALDH1A1GAAHMGCRKDM4ECA1 | |
| SCHEMBL9278822 | 0.77 | RAB9A (0.46) | ALDH1A1GAA | |
| SCHEMBL9164617 | 0.77 | NPC1 (0.51) | ALDH1A1GAAKDM4EPKM | |
| SCHEMBL9162897 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GAATDP1HMGCRSERPINE1 | |
| SCHEMBL9687454 | 0.76 | MEN1 (0.39) | ALDH1A1TDP1KDM4E | |
| SCHEMBL9687392 | 0.72 | CYP1A2 (0.46) | ALDH1A1GAAKDM4E | |
| SCHEMBL9687941 | 0.71 | EZH2 (0.40) | KDM4E | |
| SCHEMBL9164716 | 0.69 | HMGCR (0.37) | ALDH1A1GAATDP1HMGCRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0511879-A1 | Pyrazine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |