Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824227 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4EPOLBPKMTSHR | |
| SCHEMBL9824419 | 0.80 | CHRM1 (0.38) | ALDH1A1KDM4EPOLBPKMTSHR | |
| SCHEMBL5337084 | 0.79 | CHRM1 (0.48) | ALDH1A1KDM4EPOLBPKMTSHR | |
| SCHEMBL9824848 | 0.78 | KDM4E (0.38) | ALDH1A1KDM4EPOLBPKMTSHR | |
| SCHEMBL9823981 | 0.78 | GNAO1 (0.40) | ALDH1A1CHRM1SIGMAR1 | |
| SCHEMBL9824394 | 0.77 | CHRM1 (0.49) | ALDH1A1KDM4ECHRM1CHRM2CHRM4 | |
| SCHEMBL9824670 | 0.76 | CHRM1 (0.41) | ALDH1A1KDM4EPOLBPKMTSHR | |
| SCHEMBL26267191 | 0.75 | NCF1 (0.41) | ALDH1A1ACHESIGMAR1 | |
| SCHEMBL9824622 | 0.75 | CHRM2 (0.40) | KDM4EPOLBPKMTSHRCHRM1 | |
| SCHEMBL9825263 | 0.72 | L3MBTL1 (0.47) | KDM4EPOLBPKMTSHRCHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0273239-A1 | Condensed diazepinones, processes for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |