Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL27509935 | 0.81 | ESR1 (0.36) | GSK3BESR1ESR2 | |
| SCHEMBL28774583 | 0.76 | SLC6A4 (0.41) | — | |
| SCHEMBL4281662 | 0.73 | — | — | |
| SCHEMBL5973 | 0.70 | ESR1 (0.39) | GSK3BESR1ESR2TRPV1TPMT | |
| SCHEMBL12273992 | 0.70 | ESR1 (0.39) | GSK3BESR1ESR2TRPV1TPMT | |
| SCHEMBL1713601 | 0.69 | CA1 (0.32) | GSK3BTPMTACACB | |
| SCHEMBL27652960 | 0.67 | TRPV1 (0.40) | ESR1ESR2TRPV1TPMT | |
| SCHEMBL11387380 | 0.66 | ALDH1A1 (0.44) | GSK3B | |
| SCHEMBL12812583 | 0.65 | NOS3 (0.45) | GSK3BESR1ESR2TPMTACACB | |
| SCHEMBL4867593 | 0.65 | NOS3 (0.45) | GSK3BESR1ESR2TPMTACACB |
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-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |