Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
| ▸ | FEN1 | P39748 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL10538 | 1.00 | KDM4E (0.46) | KDM4EPOLBRAB9AMEN1KMT2A | |
| SCHEMBL29217709 | 0.80 | THRB (0.35) | KDM4EALDH1A1 | |
| SCHEMBL1496791 | 0.80 | KDM4E (0.56) | KDM4EPOLBRAB9AMEN1KMT2A | |
| SCHEMBL2303325 | 0.78 | KDM4E (0.50) | KDM4EPOLBRAB9AMEN1KMT2A | |
| SCHEMBL30114254 | 0.78 | KDM4E (0.50) | KDM4EPOLBRAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL25269873 | 0.77 | KDM4E (0.49) | KDM4EPOLBRAB9AMEN1KMT2A | |
| SCHEMBL10056 | 0.74 | MAPT (0.51) | KDM4EPOLBRAB9AMEN1KMT2A | |
| SCHEMBL3884547 | 0.73 | KDM4E (0.42) | KDM4EPOLBRAB9AMEN1KMT2A | |
| SCHEMBL9926 | 0.73 | ALDH1A1 (0.42) | POLBRAB9AALDH1A1CA12CA1 | |
| SCHEMBL21312156 | 0.72 | KDM4E (0.47) | KDM4EPOLBRAB9AMEN1KMT2A |
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 |