Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982132 | 0.91 | TAOK1 (0.36) | ROCK2TAOK1NPC1RAB9AKDM4E | |
| SCHEMBL6985507 | 0.86 | SMN1; SMN2 (0.37) | ROCK2NPC1RAB9AALDH1A1 | |
| SCHEMBL6988090 | 0.85 | TP53 (0.35) | NPC1RAB9AALDH1A1LMNAHPGDS | |
| SCHEMBL6987228 | 0.84 | CTSK (0.37) | RAB9ALMNA | |
| SCHEMBL6752457 | 0.84 | HPGDS (0.39) | ROCK2NPC1RAB9AHTTHPGDS | |
| SCHEMBL6990344 | 0.84 | MEN1 (0.37) | NPC1RAB9ALMNA | |
| SCHEMBL6986649 | 0.84 | HTR1A (0.40) | ROCK2NPC1ALDH1A1LMNA | |
| SCHEMBL6991034 | 0.83 | TAS1R3 (0.34) | HPGDS | |
| SCHEMBL6989479 | 0.82 | ATM (0.39) | NPC1RAB9ALMNAHTT | |
| SCHEMBL6988331 | 0.81 | KDM1A (0.38) | — |
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-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |