Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8017973 | 0.99 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL7591741 | 0.89 | MTNR1A (0.44) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL8010759 | 0.88 | MTNR1A (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL7587120 | 0.87 | CHRNB4 (0.40) | TSHRKDM4EHSD17B10TDP2ESR1 | |
| SCHEMBL7587127 | 0.87 | CHRNB4 (0.40) | TSHRKDM4EHSD17B10TDP2ESR1 | |
| SCHEMBL7584182 | 0.87 | ESR1 (0.40) | TSHRKDM4EHSD17B10TDP2ESR1 | |
| Hydrochloric Acid SCHEMBL8011601 | 0.86 | ESR1 (0.39) | TSHRKDM4EHSD17B10TDP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8014791 | 0.86 | CHRNB4 (0.39) | TSHRKDM4EHSD17B10TDP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8014796 | 0.86 | CHRNB4 (0.39) | TSHRKDM4EHSD17B10TDP2ALDH1A1 | |
| SCHEMBL7588665 | 0.81 | ESR1 (0.40) | ESR1ESR2HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1243721-C | Substituted amino compounds and their use as substances having analgesic effect | GRUENENTHAL GMBH (DE) | 2006-03-01 | — | — | CN | disclosed |
| EP-0864559-B1 | Substituted amino compounds and their use as analgesic active substances | GRUENENTHAL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| EP-0864559-A1 | Substituted amino compounds and their use as analgesic active substances | Grünenthal GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |