Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 8/20 | 0.50 |
| ▸ | CTSS | P25774 | 7/20 | 0.50 |
| ▸ | CTSB | P07858 | 7/20 | 0.50 |
| ▸ | CTSK | P43235 | 5/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5527601 | 0.80 | EPHX2 (0.54) | NAAACTSLCTSSCTSBCTSK | |
| SCHEMBL5525754 | 0.79 | HDAC6 (0.65) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10453239 | 0.78 | HDAC6 (0.64) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6184062 | 0.77 | HDAC6 (0.68) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5524028 | 0.77 | HDAC6 (0.68) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4633788 | 0.77 | NPC1 (0.60) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2863808 | 0.77 | GAA (0.61) | NAAACTSLCTSSCTSBCTSK | |
| SCHEMBL5529197 | 0.76 | EPHX2 (0.60) | CTSLCTSSCTSBCTSKEPHX2 | |
| SCHEMBL5526376 | 0.76 | EPHX2 (0.52) | NAAACTSLCTSSCTSBCTSK | |
| SCHEMBL12650598 | 0.76 | NAAA (0.66) | NAAAHDAC3HDAC4HDAC1HDAC7 |
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-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |