Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7689353 | 0.94 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2PFKFB3LMNAPABPC1 | |
| SCHEMBL7699311 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2PFKFB3LMNAPABPC1 | |
| SCHEMBL7695659 | 0.85 | KDM1A (0.51) | ALDH1A1PFKFB3MAPTMEN1KMT2A | |
| SCHEMBL7695396 | 0.82 | AKR1C3 (0.48) | ALDH1A1SMN1; SMN2LMNAHDAC1HTT | |
| SCHEMBL7695272 | 0.82 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNAHDAC1MEN1 | |
| SCHEMBL7692550 | 0.80 | AKR1C3 (0.51) | ALDH1A1SMN1; SMN2PFKFB3LMNAMEN1 | |
| SCHEMBL7694179 | 0.79 | AKR1C3 (0.48) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7694334 | 0.78 | ALDH1A1 (0.49) | ALDH1A1PFKFB3MEN1KMT2AKDM1A | |
| SCHEMBL7659849 | 0.77 | AKR1C3 (0.47) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL6942392 | 0.76 | AKR1C3 (0.48) | ALDH1A1SMN1; SMN2HTTNPSR1MEN1 |
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 |