Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CLPP | Q16740 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304180 | 1.00 | NPC1 (0.38) | NPC1RAB9ACLPPCTSLCTSK | |
| SCHEMBL7310659 | 0.92 | CTSK (0.44) | NPC1RAB9ACLPPCTSLCTSK | |
| SCHEMBL7310672 | 0.92 | CTSK (0.44) | NPC1RAB9ACLPPCTSLCTSK | |
| SCHEMBL7308924 | 0.89 | NPC1 (0.49) | NPC1RAB9ACTSLCCNA2CDK2 | |
| SCHEMBL8887842 | 0.89 | NPC1 (0.49) | NPC1RAB9ACTSLCCNA2CDK2 | |
| SCHEMBL7436134 | 0.88 | NPC1 (0.37) | NPC1RAB9APOLBUSP2ALDH1A1 | |
| SCHEMBL7300622 | 0.88 | POLB (0.37) | NPC1RAB9ACLPPCTSLCTSK | |
| SCHEMBL7300609 | 0.88 | POLB (0.37) | NPC1RAB9ACLPPCTSLCTSK | |
| SCHEMBL7313606 | 0.88 | CTSL (0.44) | NPC1RAB9ACTSLCTSKCCNA2 | |
| SCHEMBL7313599 | 0.88 | CTSL (0.44) | NPC1RAB9ACTSLCTSKCCNA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0525420-B1 | Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors | MITSUBISHI CHEM CORP (JP) | 1999-05-12 | — | — | EP | disclosed |
| US-5639783-A | POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-06-17 | — | — | US | disclosed |