Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7659849 | 0.93 | AKR1C3 (0.47) | ALDH1A1LMNAGAASMN1; SMN2PLAU | |
| SCHEMBL7654043 | 0.93 | ALDH1A1 (0.54) | ALDH1A1LMNAGAASMN1; SMN2HDAC3 | |
| SCHEMBL7682470 | 0.90 | ALDH1A1 (0.51) | ALDH1A1LMNAGAASMN1; SMN2HDAC3 | |
| SCHEMBL7425669 | 0.89 | ALDH1A1 (0.52) | ALDH1A1LMNAGAASMN1; SMN2HDAC3 | |
| SCHEMBL7695272 | 0.86 | ALDH1A1 (0.52) | ALDH1A1LMNAGAASMN1; SMN2HDAC3 | |
| SCHEMBL7658785 | 0.86 | ALDH1A1 (0.45) | ALDH1A1LMNAGAASMN1; SMN2HDAC3 | |
| SCHEMBL7659961 | 0.84 | MEN1 (0.52) | SMN1; SMN2HDAC3HDAC1HDAC2PLAU | |
| SCHEMBL7680584 | 0.83 | AKR1C3 (0.48) | ALDH1A1LMNAGAASMN1; SMN2PLAU | |
| SCHEMBL7661487 | 0.83 | EGFR (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7385949 | 0.83 | ALDH1A1 (0.55) | ALDH1A1LMNAGAASMN1; SMN2HDAC3 |
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 |