Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | PGK1 | P00558 | 1/20 | 0.30 |
| ▸ | PGK2 | P07205 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28146626 | 0.78 | TRPA1 (0.42) | — | |
| SCHEMBL20187516 | 0.76 | GPR84 (0.44) | — | |
| SCHEMBL20203208 | 0.76 | GPR84 (0.44) | — | |
| SCHEMBL2879915 | 0.76 | HTR2A (0.39) | — | |
| SCHEMBL20187547 | 0.76 | HTR2A (0.39) | — | |
| SCHEMBL8168160 | 0.76 | HTR2A (0.39) | — | |
| SCHEMBL5597894 | 0.75 | TRPA1 (0.45) | — | |
| SCHEMBL2078925 | 0.75 | TRPA1 (0.45) | — | |
| SCHEMBL28034550 | 0.75 | TRPA1 (0.45) | — | |
| SCHEMBL16569535 | 0.73 | TSHR (0.41) | — |
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-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |