Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 2/20 | 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 |
| ▸ | OGA | O60502 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.33 |
| ▸ | USP2 | O75604 | 5/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | 0.84 | CYP3A4 (0.42) | CYP3A4USP2HIF1AMEN1KMT2A | |
| SCHEMBL5301 | 0.81 | EPHX2 (0.42) | LIPE | |
| SCHEMBL5548 | 0.80 | CYP3A4 (0.36) | OPRM1OPRD1OPRK1OPRL1CYP3A4 | |
| SCHEMBL5569 | 0.76 | USP2 (0.41) | LIPECYP3A4USP2HIF1AMEN1 | |
| SCHEMBL11778 | 0.74 | LIPE (0.62) | LIPE | |
| SCHEMBL12702172 | 0.74 | LIPE (0.62) | LIPE | |
| SCHEMBL11779 | 0.74 | LIPE (0.62) | LIPE | |
| SCHEMBL5214 | 0.71 | S1PR1 (0.40) | CYP3A4USP2HIF1AMEN1KMT2A | |
| SCHEMBL11163696 | 0.68 | ALDH1A1 (0.49) | OGAKMT2AALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL11377762 | 0.68 | HTT (0.45) | LIPECYP3A4USP2HIF1AMEN1 |
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 |