Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7695659 | 0.92 | KDM1A (0.51) | ALDH1A1CTSDBACE1BACE2MEN1 | |
| SCHEMBL7695396 | 0.91 | AKR1C3 (0.48) | ALDH1A1MEN1KMT2AHDAC2HDAC8 | |
| SCHEMBL7665441 | 0.87 | EGFR (0.46) | MEN1KMT2AKDM1AMAOAPFKFB3 | |
| SCHEMBL7689353 | 0.86 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2APFKFB3 | |
| SCHEMBL7692550 | 0.82 | AKR1C3 (0.51) | ALDH1A1CTSDBACE1BACE2MEN1 | |
| SCHEMBL7689558 | 0.81 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AHDAC2HDAC8 | |
| SCHEMBL7694179 | 0.80 | AKR1C3 (0.48) | ALDH1A1 | |
| SCHEMBL7661487 | 0.80 | EGFR (0.47) | MEN1KMT2AKDM1AMAOAPTGES | |
| SCHEMBL7696803 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM1AMAOA | |
| SCHEMBL7378076 | 0.77 | CAPN1 (0.53) | CTSDBACE1BACE2MEN1KMT2A |
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 |