Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670496 | 0.94 | MAPT (0.53) | MAPTPDE4BNPC1RAB9AMMP1 | |
| SCHEMBL6285905 | 0.87 | MAPT (0.49) | MAPTPDE4BNPC1RAB9AMMP1 | |
| SCHEMBL7284408 | 0.82 | NPC1 (0.54) | MAPTNPC1RAB9AGSK3BKMT2A | |
| SCHEMBL7285107 | 0.81 | CTNNB1 (0.58) | MAPTPDE4BALDH1A1 | |
| SCHEMBL16552644 | 0.79 | MMP1 (0.76) | MAPTPDE4BNPC1RAB9AMMP1 | |
| SCHEMBL7210582 | 0.79 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1HTT | |
| SCHEMBL7287642 | 0.79 | KMT2A (0.53) | MAPTNPC1RAB9AMMP1GSK3B | |
| SCHEMBL3392114 | 0.79 | KMT2A (0.51) | MAPTHDAC1HDAC8GSK3BHDAC3 | |
| SCHEMBL25419336 | 0.79 | MAPT (0.49) | MAPTPDE4BNPC1RAB9AMMP1 | |
| SCHEMBL7287661 | 0.78 | MAPT (0.52) | MAPTNPC1RAB9AHDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5292732-A | Pyrrolopyrazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0521368-A1 | Bi- and tetracyclic pyrrolopyrazines | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-07 | — | — | EP | disclosed |