Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | IL1RN | P18510 | 2/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.39 |
| ▸ | MMP1 | P03956 | 4/20 | 0.36 |
| ▸ | MMP3 | P08254 | 3/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12943165 | 0.92 | IL1RN (0.44) | PTPN1IL1RNERAP2ERAP1OPRM1 | |
| SCHEMBL8208994 | 0.92 | MME (0.42) | PTPN1MMP1MMP3MMP9MMP2 | |
| SCHEMBL8209110 | 0.90 | PTPN1 (0.38) | PTPN1IL1RNERAP2ERAP1OPRM1 | |
| SCHEMBL8202825 | 0.88 | PTPN1 (0.44) | PTPN1IL1RNERAP2ERAP1OPRM1 | |
| SCHEMBL8208041 | 0.88 | IL1RN (0.45) | IL1RNERAP2ERAP1MMP1MMP3 | |
| SCHEMBL12943098 | 0.86 | IL1RN (0.45) | PTPN1IL1RNERAP2ERAP1OPRM1 | |
| SCHEMBL12943096 | 0.84 | IL1RN (0.43) | PTPN1IL1RNERAP2ERAP1OPRM1 | |
| SCHEMBL12943085 | 0.83 | ITGB3 (0.44) | IL1RNERAP2ERAP1MMP1MMP9 | |
| SCHEMBL12943214 | 0.83 | CTSB (0.38) | MMP1MMP3MMP9MMP2 | |
| SCHEMBL8208049 | 0.83 | NPSR1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008048121-A2 | MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF | LINCOLN UNIVERSITY (NZ) | 2008-04-24 | — | — | WO | disclosed |