Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.51 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL209069 | 0.86 | CHRNB2 (0.72) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL31256877 | 0.86 | CHRNB2 (0.72) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4471980 | 0.85 | CHRNB2 (0.70) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL27844692 | 0.85 | CHRNB2 (0.70) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1028332 | 0.85 | CHRNB2 (0.70) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL26599772 | 0.84 | SIGMAR1 (0.45) | SIGMAR1TDP1CHRM2SLC2A1 | |
| SCHEMBL13843567 | 0.81 | CHRNB2 (0.73) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL28287855 | 0.80 | CHRNB2 (0.62) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 | |
| SCHEMBL3992871 | 0.79 | CHRNB2 (0.69) | CHRNB2CHRNA4SIGMAR1TDP1CHRM2 | |
| Tert-Butyl Formate SCHEMBL27844848 | 0.78 | CHRNB2 (0.52) | KDM4EALDH1A1CHRNB2CHRNA4SIGMAR1 |
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-1907372-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007003965-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |