Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 7/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR1E | P28566 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7472118 | 0.91 | ESR1 (0.41) | TMEM97SIGMAR1SLC6A2HRH2HRH1 | |
| SCHEMBL7474127 | 0.80 | TMEM97 (0.43) | TMEM97SIGMAR1SLC6A2HRH2HRH1 | |
| SCHEMBL8562631 | 0.80 | TMEM97 (0.39) | TMEM97SIGMAR1SLC6A2HRH2HRH1 | |
| SCHEMBL8566035 | 0.79 | ESR1 (0.40) | HRH1ESR1ESR2KDM4ESMN1; SMN2 | |
| SCHEMBL8562345 | 0.78 | ESR1 (0.39) | TMEM97SIGMAR1SLC6A2HRH2HRH1 | |
| SCHEMBL7560796 | 0.74 | ESR1 (0.42) | TMEM97SIGMAR1SLC6A2HRH2HRH1 | |
| SCHEMBL8562237 | 0.73 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL8562233 | 0.73 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL8564893 | 0.72 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL8564898 | 0.72 | ESR1 (0.39) | ESR1ESR2 |
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 |