Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.51 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 9/20 | 0.42 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16295148 | 0.90 | GSR (0.65) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL7262078 | 0.90 | SLC6A5 (0.49) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL28558401 | 0.84 | FOLH1 (0.47) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL1443498 | 0.82 | FOLH1 (0.56) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL1443500 | 0.82 | FOLH1 (0.56) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL264838 | 0.81 | NOD1 (0.48) | SLC6A5ACE | |
| SCHEMBL4951252 | 0.81 | GSR (0.52) | GSRFOLH1RNPEPMMP2MMP9 | |
| Water SCHEMBL1645999 | 0.81 | FOLH1 (0.54) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL7107134 | 0.81 | FOLH1 (0.54) | GSRFOLH1RNPEPMMP2MMP9 | |
| SCHEMBL8576386 | 0.81 | FOLH1 (0.54) | GSRFOLH1RNPEPMMP2MMP9 |
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-1551832-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031185-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |