Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12757865 | 0.68 | MMP1 (0.54) | CASP1LMNAKDM4EKEAP1GAA | |
| SCHEMBL7704469 | 0.66 | KCNA5 (0.52) | CASP1KCNA5KEAP1GAAKAT6A | |
| SCHEMBL7426429 | 0.66 | SIRT2 (0.41) | AURKARPS6KB1 | |
| SCHEMBL2969958 | 0.66 | MMP1 (0.59) | LMNAKDM4EKEAP1GAAALDH1A1 | |
| SCHEMBL3416851 | 0.65 | KDM4E (0.60) | LMNASLC40A1KCNA5KDM4EGAA | |
| SCHEMBL28930113 | 0.65 | METAP2 (0.62) | KDM4EKEAP1GAAALDH1A1TSHR | |
| SCHEMBL20178657 | 0.63 | EPHX1 (0.47) | KDM4EALDH1A1MAPTTSHR | |
| SCHEMBL8912407 | 0.63 | MMP2 (0.67) | ALDH1A1MAPTKMT2AMMP1 | |
| SCHEMBL10788040 | 0.63 | MMP1 (0.59) | LMNAKDM4EKEAP1GAAALDH1A1 | |
| SCHEMBL359770 | 0.62 | MMP1 (0.79) | GAAALDH1A1KMT2AMMP1MMP12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436925-B1 | BETTER ABLE TO CROSS MEMBRANES; INHIBITORS OF CYSTEINE PROTEASES LIKE CALPAIN I AND II AND CATHEPSIN B AND L, CAN THUS BE USED TO CONTROL DISEASES ASSOCIATED WITH AN ELEVATED ACTIVITY OF CALPAIN ENZYMES OR CATHEPSIN ENZYMES | ABBOTT LABORATORIES | 2002-08-20 | — | — | US | disclosed |