Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | TACR2 | P21452 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8155959 | 0.82 | ESR1 (0.45) | ESR1ESR2SLC6A2ALDH1A1ADRA2A | |
| SCHEMBL106928 | 0.79 | ESR1 (0.44) | ESR1ESR2SLC6A2ALDH1A1ADRA2A | |
| SCHEMBL108525 | 0.79 | ESR1 (0.44) | ESR1ESR2SLC6A2ALDH1A1ADRA2A | |
| SCHEMBL10921385 | 0.79 | ESR1 (0.52) | ESR1ESR2SLC6A2ALDH1A1ADRA2A | |
| SCHEMBL1043663 | 0.78 | CA2 (0.48) | ESR1ESR2SLC6A2ALDH1A1ADRA2A | |
| SCHEMBL9152724 | 0.77 | ESR1 (0.54) | ESR1ESR2SLC6A2ALDH1A1ADRA2A | |
| SCHEMBL13733896 | 0.76 | FNTA (0.54) | ESR1ESR2SLC6A2SLC6A3LMNA | |
| SCHEMBL9153358 | 0.76 | IDO1 (0.42) | SLC6A2ALDH1A1SLC6A4SLC6A3LMNA | |
| SCHEMBL27269869 | 0.76 | TRPA1 (0.48) | ALDH1A1LMNATAAR1L3MBTL1POLB | |
| SCHEMBL28697416 | 0.76 | TAAR1 (0.40) | ALDH1A1KDM4ELMNATAAR1CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5364948-A | Anticancer, anticholesterol, fungicide | MERCK & CO., INC. (US) | 1994-11-15 | — | — | US | claimed |
| WO-1994018157-A1 | BIOLOGICALLY ACTIVE COMPOUNDS ISOLATED FROM AEROBIC FERMENTATION OF $i(TRICHODERMA VIRIDE) | MERCK & CO., INC. (US) | 1994-08-18 | — | — | WO | claimed |
| US-5393774-A | Antispasmodic agents | PIEPER HELMUT (DE) | 1995-02-28 | — | — | US | disclosed |
| EP-0500853-A1 | PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. | THOMAE GMBH DR K (DE) | 1992-09-02 | — | — | EP | disclosed |
| WO-1992004316-A1 | PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1992-03-19 | — | — | WO | disclosed |