Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.30 |
| ▸ | LIPE | Q05469 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL12193 | 0.84 | MCOLN3 (0.40) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12346 | 0.80 | POLB (0.32) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12024 | 0.79 | LIPE (0.35) | LIPE | |
| SCHEMBL9601 | 0.73 | LIPE (0.42) | MEN1KMT2AMGLLL3MBTL1LIPE | |
| SCHEMBL16786535 | 0.66 | MGLL (0.45) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24720951 | 0.66 | RAB9A (0.50) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5672 | 0.66 | HRH3 (0.52) | LIPE | |
| SCHEMBL5592 | 0.66 | EGLN1 (0.54) | MGLLLIPE | |
| SCHEMBL12701963 | 0.66 | HRH3 (0.52) | LIPE | |
| SCHEMBL10832 | 0.66 | HRH3 (0.52) | LIPE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |