Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | CTSL | P07711 | 4/20 | 0.43 |
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MRE11 | P49959 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185021 | 0.91 | MEN1 (0.52) | ROCK1MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6180437 | 0.87 | ROCK2 (0.50) | ROCK2ROCK1MAPTKDM4EALDH1A1 | |
| SCHEMBL6181829 | 0.85 | MEN1 (0.52) | MAPTKDM4EALDH1A1SMN1; SMN2HTT | |
| SCHEMBL6180116 | 0.83 | CTSK (0.56) | MEN1KMT2ACTSKCTSSCTSL | |
| SCHEMBL6183760 | 0.80 | CTSL (0.49) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6181675 | 0.80 | HDAC3 (0.44) | MAPTKDM4EALDH1A1SMN1; SMN2HTT | |
| SCHEMBL7433934 | 0.79 | MAPT (0.58) | ROCK1MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7433950 | 0.79 | MAPT (0.58) | ROCK1MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7651961 | 0.79 | CTSS (0.47) | MAPTKDM4EALDH1A1SMN1; SMN2HTT | |
| SCHEMBL6181689 | 0.79 | CTSS (0.47) | MAPTKDM4EALDH1A1SMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | claimed |
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |