Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5799 | 0.82 | HSPB1 (0.54) | MAPTNPSR1HSPB1L3MBTL1RAB9A | |
| SCHEMBL1590498 | 0.82 | MAPT (0.59) | MAPTNPSR1HSPB1L3MBTL1RAB9A | |
| SCHEMBL29516441 | 0.75 | L3MBTL1 (0.56) | MAPTNPSR1L3MBTL1RAB9APOLB | |
| SCHEMBL28979578 | 0.75 | KDM4E (0.47) | RAB9APOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL10092 | 0.75 | L3MBTL1 (0.56) | MAPTNPSR1L3MBTL1RAB9APOLB | |
| SCHEMBL3894432 | 0.75 | MAPT (0.51) | MAPTNPSR1HSPB1L3MBTL1RAB9A | |
| Hydrochloric Acid SCHEMBL1496776 | 0.74 | L3MBTL1 (0.54) | MAPTNPSR1L3MBTL1RAB9APOLB | |
| SCHEMBL28723950 | 0.72 | MAPT (0.53) | MAPTNPSR1HSPB1L3MBTL1RAB9A | |
| SCHEMBL558792 | 0.71 | HSPB1 (0.56) | MAPTNPSR1HSPB1L3MBTL1RAB9A | |
| SCHEMBL29974305 | 0.71 | HSPB1 (0.56) | MAPTNPSR1HSPB1L3MBTL1RAB9A |
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 |