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 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL22498339 | 0.76 | HSD17B10 (0.42) | CA1CA2 | |
| SCHEMBL11324732 | 0.76 | CYP2A6 (0.42) | CA1CA2 | |
| SCHEMBL20765676 | 0.75 | CYP2D6 (0.44) | — | |
| SCHEMBL874358 | 0.75 | CYP2D6 (0.44) | — | |
| SCHEMBL11320769 | 0.73 | CES2 (0.44) | GSK3B | |
| SCHEMBL191880 | 0.71 | GSK3B (0.40) | CA1CA2GSK3BTPMTACACB | |
| SCHEMBL3793092 | 0.71 | TPMT (0.36) | CA1CA2GSK3BTPMTACACB | |
| SCHEMBL11411614 | 0.71 | TYR (0.38) | CA1CA2GSK3BTPMTACACB | |
| SCHEMBL1713601 | 0.71 | CA1 (0.32) | CA1CA2GSK3BTPMTACACB | |
| SCHEMBL4573831 | 0.69 | CA2 (0.44) | CA2ACACB |
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 |