Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101079 | 0.91 | ESR1 (0.70) | ESR1ESR2ALDH1A1HDAC6HDAC8 | |
| SCHEMBL1787035 | 0.87 | ESR1 (0.56) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL5418547 | 0.84 | ESR1 (0.50) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL1366408 | 0.83 | ESR1 (0.52) | ESR1ESR2ALDH1A1HDAC6HDAC8 | |
| SCHEMBL9052486 | 0.83 | HDAC6 (0.59) | ESR1ESR2ALDH1A1HDAC6HDAC8 | |
| SCHEMBL4075352 | 0.83 | ESR1 (0.52) | ESR1ESR2ALDH1A1HDAC6HDAC8 | |
| SCHEMBL12387505 | 0.83 | ESR1 (0.52) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL27812215 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HDAC6HDAC8MYCSRD5A2 | |
| Hydrochloric Acid SCHEMBL2315162 | 0.82 | ESR1 (0.51) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL373697 | 0.81 | ESR2 (0.83) | ESR1ESR2HDAC6ABHD6 |
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 |