Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7422936 | 0.86 | ESR1 (0.49) | ESR1ESR2HDAC6KDM4EGAA | |
| SCHEMBL7420066 | 0.81 | MEN1 (0.47) | ESR1ESR2HDAC6KDM4ESMN1; SMN2 | |
| SCHEMBL7421889 | 0.81 | ESR1 (0.51) | ESR1ESR2HDAC6KDM4ENPC1 | |
| SCHEMBL25959602 | 0.79 | ESR2 (0.53) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL31213719 | 0.79 | ESR2 (0.53) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL719456 | 0.78 | ESR1 (0.56) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL8283285 | 0.77 | ESR2 (0.70) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL2061259 | 0.76 | ESR1 (0.55) | ESR1ESR2KDM4ENPC1GAA | |
| Water SCHEMBL3709830 | 0.75 | ESR1 (0.57) | ESR1ESR2HDAC6MAPTHDAC8 | |
| Water SCHEMBL3709828 | 0.75 | ESR1 (0.54) | ESR1ESR2HDAC6HDAC8ABHD6 |
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-0777667-A1 | CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT | Dr. Karl Thomae GmbH (DE) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996005194-A1 | CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT | DR. KARL THOMAE GMBH (DE) | 1996-02-22 | — | — | WO | disclosed |