Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CTSA | P10619 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960352 | 0.76 | ALDH1A1 (0.38) | ALDH1A1PKMMAPTLMNAKDM4E | |
| SCHEMBL27535188 | 0.76 | PKM (0.42) | ALDH1A1PKMMAPTLMNAHTT | |
| SCHEMBL9315723 | 0.75 | MAPT (0.37) | ALDH1A1MAPTLMNAKDM4EMITF | |
| SCHEMBL17925583 | 0.75 | MAPT (0.36) | ALDH1A1MAPTLMNACNR1KDM4E | |
| SCHEMBL2040302 | 0.73 | MAPT (0.37) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL2040186 | 0.73 | KDM4E (0.42) | ALDH1A1MAPTLMNAHTTCNR1 | |
| SCHEMBL17184895 | 0.73 | MAPT (0.38) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL29960768 | 0.73 | MAPT (0.38) | ALDH1A1PKMMAPTLMNAKDM4E | |
| SCHEMBL29081975 | 0.72 | MAPT (0.41) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL31145104 | 0.72 | MAPT (0.41) | ALDH1A1MAPTLMNAHTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9890167-B2 | Pyrazine compounds for the treatment of infectious diseases | HOFFMANN-LA ROCHE INC. (US) | 2018-02-13 | — | — | US | disclosed |