Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BMP1 | P13497 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208453 | 0.88 | ITGB3 (0.36) | MMP1MMP2MMP9 | |
| SCHEMBL12943214 | 0.87 | CTSB (0.38) | SMN1; SMN2CTSBACACBGAACYP2D6 | |
| SCHEMBL8208049 | 0.86 | NPSR1 (0.39) | SMN1; SMN2ACACBMEN1KMT2AGAA | |
| SCHEMBL8195215 | 0.86 | ACACB (0.35) | SMN1; SMN2CTSBACACBMEN1KMT2A | |
| SCHEMBL12943109 | 0.85 | ACACB (0.35) | SMN1; SMN2ACACBMEN1KMT2AGAA | |
| SCHEMBL12943110 | 0.84 | CTSD (0.34) | ACACBMEN1KMT2AGAACYP2D6 | |
| SCHEMBL12943104 | 0.81 | IL1RN (0.33) | — | |
| SCHEMBL12943212 | 0.78 | CTSB (0.37) | CTSBACACBALDH1A1 | |
| SCHEMBL8208994 | 0.78 | MME (0.42) | MMP1MMP2MMP9ALDH1A1 | |
| SCHEMBL8202825 | 0.78 | PTPN1 (0.44) | MMP1MMP2MMP9 |
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 |