Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL5548 | 0.88 | CYP3A4 (0.36) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL11842 | 0.84 | LIPE (0.35) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL5301 | 0.84 | EPHX2 (0.42) | — | |
| SCHEMBL5569 | 0.79 | USP2 (0.41) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL16730388 | 0.77 | CYP3A4 (0.43) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL4615 | 0.75 | HSD11B1 (0.42) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL14996492 | 0.75 | CYP3A4 (0.44) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL20455752 | 0.75 | CYP3A4 (0.49) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL5214 | 0.73 | S1PR1 (0.40) | CYP3A4TSHRHIF1AUSP2CYP2C9 | |
| SCHEMBL11947830 | 0.72 | CA12 (0.41) | CYP3A4TSHRHIF1AUSP2CYP2C9 |
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 |