Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 2/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7790064 | 0.88 | TSHR (0.61) | TSHRHSD17B10ALDH1A1CTDSP1BACE1 | |
| SCHEMBL27533745 | 0.88 | TSHR (0.61) | TSHRHSD17B10ALDH1A1CTDSP1BACE1 | |
| SCHEMBL27555177 | 0.84 | BACE1 (0.56) | TSHRHSD17B10ALDH1A1SNCABACE1 | |
| Dimethylamine SCHEMBL1335350 | 0.82 | TSHR (0.53) | TSHRHSD17B10ALDH1A1CTDSP1BACE1 | |
| SCHEMBL9000587 | 0.81 | TSHR (0.59) | TSHRHSD17B10ALDH1A1MAPK1TP53 | |
| SCHEMBL9000589 | 0.81 | TSHR (0.59) | TSHRHSD17B10ALDH1A1MAPK1TP53 | |
| SCHEMBL2771156 | 0.81 | TSHR (0.62) | TSHRHSD17B10ALDH1A1MAPK1HTT | |
| SCHEMBL1335348 | 0.79 | CAPN1 (0.54) | TSHRHSD17B10ALDH1A1CTDSP1BACE1 | |
| SCHEMBL1335346 | 0.79 | CAPN1 (0.54) | TSHRHSD17B10ALDH1A1CTDSP1BACE1 | |
| SCHEMBL6386138 | 0.78 | TSHR (0.47) | TSHRHSD17B10ALDH1A1MAPK1NPSR1 |
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 |