Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 6/20 | 0.49 |
| ▸ | RXRB | P28702 | 5/20 | 0.49 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1797326 | 0.86 | KDM4E (0.55) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL34469599 | 0.85 | MAPK14 (0.58) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL5924981 | 0.81 | DAO (0.50) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL6256292 | 0.79 | DAO (0.52) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL5925022 | 0.79 | KDM4E (0.44) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL5925026 | 0.76 | DAO (0.41) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL34469616 | 0.76 | DAO (0.52) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL34470024 | 0.75 | DAO (0.44) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL14748312 | 0.74 | KMT2A (0.46) | ALDH1A1DAOKDM4EMEN1MAPT | |
| SCHEMBL1801707 | 0.74 | PLK1 (0.43) | ALDH1A1DAOKDM4EMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |