Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | FPGS | Q05932 | 2/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL7678439 | 0.91 | ADAMTS4 (0.48) | PTPN1NPC1MAPTCA2ADAMTS4 | |
| SCHEMBL7702953 | 0.87 | PTPN1 (0.53) | PTPN1NPC1MAPTCA2ADAMTS4 | |
| SCHEMBL7385051 | 0.87 | PTPN1 (0.46) | PTPN1NPC1MAPTCCKBRALOX5 | |
| SCHEMBL7664997 | 0.87 | PTPN1 (0.51) | PTPN1NPC1MAPTCCKBRALOX5 | |
| SCHEMBL7682464 | 0.85 | CA2 (0.42) | MAPTCA2MMP13CCKBRDHFR | |
| SCHEMBL7428036 | 0.83 | CA2 (0.45) | NPC1CA2MMP13CCKBRHDAC3 | |
| SCHEMBL7425669 | 0.80 | ALDH1A1 (0.52) | CA2MMP13CCKBRHDAC3HDAC1 | |
| SCHEMBL7701695 | 0.78 | CA2 (0.52) | PTPN1NPC1MAPTCA2ADAMTS4 | |
| SCHEMBL7391842 | 0.76 | HDAC8 (0.46) | NPC1CA2CCKBR | |
| SCHEMBL7686484 | 0.76 | CA2 (0.44) | CA2CCKBRDHFRFPGSCTSL |
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 3 patents. 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 |
| EP-1073632-A1 | SUBSTITUTED BENZAMIDES, THEIR PRODUCTION AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054293-A1 | SUBSTITUTED BENZAMIDES, THEIR PRODUCTION AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-28 | — | — | WO | disclosed |