Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722648 | 0.98 | KCNH2 (0.35) | KCNH2CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL7082422 | 0.92 | — | — | |
| SCHEMBL989895 | 0.89 | CES1 (0.38) | GAACES1 | |
| SCHEMBL5821819 | 0.79 | PSEN1 (0.32) | GAAHPGD | |
| SCHEMBL2095540 | 0.71 | CHRM2 (0.37) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| SCHEMBL14305750 | 0.70 | NAAA (0.50) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15225261 | 0.70 | NAAA (0.50) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9819021 | 0.70 | NAAA (0.50) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL7524061 | 0.70 | NAAA (0.50) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL483412 | 0.70 | NAAA (0.50) | KCNH2ESR1ADRA2AADORA3TACR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |