Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8085031 | 0.77 | CNR2 (0.56) | CNR2ALDH1A1LMNA | |
| SCHEMBL8089406 | 0.77 | CNR2 (0.70) | CNR2S1PR5ESR1ADRA2AADORA3 | |
| SCHEMBL8078040 | 0.70 | CNR2 (0.69) | CNR2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8185348 | 0.69 | S1PR5 (0.60) | S1PR5HRH3ADRA2ATP53ADRA2B | |
| SCHEMBL8191897 | 0.69 | HRH3 (0.66) | S1PR5HRH3ADRA2AKDM4EADRA2B | |
| SCHEMBL8184976 | 0.69 | S1PR5 (0.60) | S1PR5HRH3ADRA2ATP53ADRA2B | |
| SCHEMBL8086144 | 0.68 | ESR1 (0.40) | CNR2NR5A1ESR1ADRA2AADORA3 | |
| SCHEMBL22692751 | 0.68 | S1PR5 (0.54) | S1PR5HRH3SLC6A4 | |
| SCHEMBL29174136 | 0.67 | NR5A1 (0.77) | NR5A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8187259 | 0.66 | HRH3 (0.58) | S1PR5HRH3ADRA2AKDM4EADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |