Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4617 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C19HIF1AUSP2CYP1A2 | |
| SCHEMBL4615 | 0.81 | HSD11B1 (0.42) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL5391 | 0.80 | CYP3A4 (0.35) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL5569 | 0.80 | USP2 (0.41) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL5301 | 0.80 | EPHX2 (0.42) | — | |
| SCHEMBL11842 | 0.80 | LIPE (0.35) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL5651 | 0.79 | LIPE (0.38) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL5989 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL5214 | 0.74 | S1PR1 (0.40) | CYP3A4CYP2C19HIF1AALDH1A1USP2 | |
| SCHEMBL24124025 | 0.72 | HSD11B1 (0.41) | CYP2C19ALDH1A1USP2CYP1A2CYP2C9 |
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 | claimed |
| 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 | claimed |