Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | TACR2 | P21452 | 2/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | SHBG | P04278 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.63 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | TST | Q16762 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL177117 | 1.00 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL4810276 | 1.00 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9579598 | 1.00 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9154487 | 1.00 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8496560 | 1.00 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8702332 | 1.00 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8081798 | 0.98 | ESR1 (0.59) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8053812 | 0.94 | HSD17B10 (0.61) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8535115 | 0.94 | HSD17B10 (0.61) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10986143 | 0.91 | RARB (0.58) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0355045-B1 | Composition comprising a macrocyclic compound and an organic acid and its use in metal extraction | ZENECA LTD (GB) | 1995-05-17 | — | — | EP | disclosed |
| US-5342937-A | Extraction of metals especially gallium | ZENECA, LIMITED (GB) | 1994-08-30 | — | — | US | disclosed |
| US-5173210-A | Nitrogen-containing macrocyclic compound, carboxylic acid; metal chelating agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-12-22 | — | — | US | disclosed |
| US-5074911-A | Extracting metal values from aqueous solution with immiscible solvent and dissolved heterocyclic thione | IMPERICAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-24 | — | — | US | disclosed |
| EP-0408203-A2 | Heterocyclic thione | ZENECA LIMITED (GB) | 1991-01-16 | — | — | EP | disclosed |
| EP-0355045-A2 | Composition comprising a macrocyclic compound and an organic acid and its use in metal extraction | ZENECA LIMITED (GB) | 1990-02-21 | — | — | EP | disclosed |