Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11549503 | 0.82 | HSPB1 (0.53) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL3894432 | 0.77 | MAPT (0.51) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL28723950 | 0.77 | MAPT (0.53) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL11590 | 0.75 | MAPT (0.52) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL745282 | 0.75 | MAPT (0.52) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL200375 | 0.75 | CYP2C19 (0.54) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL29974305 | 0.75 | HSPB1 (0.56) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL558792 | 0.75 | HSPB1 (0.56) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL1360440 | 0.75 | MAPT (0.58) | MAPTNPSR1HSPB1CYP2C19KMT2A | |
| SCHEMBL9562 | 0.74 | KDM4E (0.46) | KMT2AMEN1RAB9APOLBALDH1A1 |
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 |