Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.42 |
| ▸ | CTSK | P43235 | 10/20 | 0.42 |
| ▸ | CTSB | P07858 | 4/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL17474200 | 1.00 | CTSS (0.42) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL17479521 | 0.93 | CTSS (0.38) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL15932451 | 0.88 | CTSS (0.40) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL30570520 | 0.86 | TRPV4 (0.40) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL17474203 | 0.86 | CTSS (0.41) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL17476298 | 0.86 | KMT2A (0.40) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL17477724 | 0.86 | TRPV4 (0.40) | CTSSCTSKCTSBCTSLABCB1 | |
| SCHEMBL15913051 | 0.85 | CXCR2 (0.38) | — | |
| SCHEMBL21504981 | 0.82 | CYP1A2 (0.33) | NR1H2 | |
| SCHEMBL21504982 | 0.79 | CTSS (0.46) | CTSSCTSKCTSBCTSLMMP13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604308-B1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2023-09-13 | — | — | EP | disclosed |