Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TST | Q16762 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8085883 | 0.68 | CNR2 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8085031 | 0.68 | CNR2 (0.56) | ALDH1A1LMNACNR2 | |
| SCHEMBL29774325 | 0.65 | GAA (0.47) | HTR2CDRD2 | |
| SCHEMBL31512859 | 0.64 | CYP1A2 (0.53) | ALDH1A1KDM4ECYP3A4CNR2CYP1A2 | |
| SCHEMBL9253926 | 0.64 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9260139 | 0.64 | CYP3A4 (0.75) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9259728 | 0.64 | ESR1 (0.69) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Phenol SCHEMBL9117289 | 0.63 | ESR1 (0.81) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL21865664 | 0.63 | MAPT (0.49) | ALDH1A1KDM4ECYP3A4DRD2DRD1 | |
| SCHEMBL25299458 | 0.63 | ESR1 (0.67) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 |