Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.46 |
| ▸ | USP2 | O75604 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23412145 | 0.77 | ADRB1 (0.61) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| Hydrochloric Acid SCHEMBL23411807 | 0.75 | ADRB1 (0.59) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| Hydrochloric Acid SCHEMBL23411806 | 0.74 | HTR3E (0.58) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL1426554 | 0.74 | USP2 (0.56) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL4072450 | 0.73 | CYP3A4 (0.63) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL14996536 | 0.73 | HTR3E (0.51) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL4072452 | 0.71 | CYP3A4 (0.55) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL28325666 | 0.70 | HTR3E (0.59) | CYP3A4USP2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL13168435 | 0.70 | DRD2 (0.54) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL13131047 | 0.70 | HTR3E (0.47) | CYP3A4USP2SMN1; SMN2ALDH1A1HIF1A |
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 |