Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isobutyramide SCHEMBL8899979 | 0.74 | EPHX2 (0.39) | EPHX1TDP1ALOX5 | |
| SCHEMBL4766616 | 0.73 | SMYD3 (0.43) | SMYD3EPHX1 | |
| SCHEMBL12274452 | 0.73 | ACACB (0.33) | — | |
| SCHEMBL4013193 | 0.68 | SMYD3 (0.36) | SMYD3EPHX1 | |
| SCHEMBL1161216 | 0.68 | EPHX1 (0.37) | SMYD3EPHX1ALOX5 | |
| SCHEMBL3351207 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL25720844 | 0.67 | ACACB (0.31) | — | |
| SCHEMBL12540125 | 0.66 | — | — | |
| SCHEMBL17069436 | 0.66 | — | — | |
| SCHEMBL18624724 | 0.66 | ADH1B (0.30) | — |
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-2720692-A2 | CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM | Virobay, Inc. (US) | 2014-04-23 | — | — | EP | disclosed |
| WO-2012174552-A2 | CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM | VIROBAY, INC. (US) | 2012-12-20 | — | — | WO | disclosed |