Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 8/20 | 0.36 |
| ▸ | PGR | P06401 | 4/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9755753 | 0.90 | AKR1B1 (0.33) | PGRAKR1B1ALDH1A1 | |
| SCHEMBL11814747 | 0.78 | NR3C1 (0.35) | NR3C1PGRNR3C2 | |
| SCHEMBL986774 | 0.76 | NR3C1 (0.31) | NR3C1 | |
| SCHEMBL11570113 | 0.76 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2A | |
| Ethofumesate SCHEMBL5475440 | 0.75 | CA2 (0.37) | ALDH1A1CA2MEN1KMT2A | |
| Ethofumesate SCHEMBL55264 | 0.75 | CA2 (0.37) | ALDH1A1CA2MEN1KMT2A | |
| Ethofumesate SCHEMBL8536662 | 0.75 | CA2 (0.37) | ALDH1A1CA2MEN1KMT2A | |
| Ethofumesate SCHEMBL29355311 | 0.75 | CA2 (0.37) | ALDH1A1CA2MEN1KMT2A | |
| SCHEMBL11809296 | 0.74 | SMN1; SMN2 (0.35) | CA2MEN1KMT2A | |
| SCHEMBL11809291 | 0.74 | CA1 (0.31) | CA2 |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6291400-B1 | Herbicidal compounds | ZENECA LIMITED (GB) | 2001-09-18 | — | — | US | disclosed |
| US-5958839-A | HERBICIDALLY ACTIVE SUBSTITUTED CYCLIC DIONES | ZENECA LITMITED (GB) | 1999-09-28 | — | — | US | disclosed |
| EP-0283261-B2 | Herbicidal substituted cyclic diones | ZENECA LTD (GB) | 1998-09-09 | — | — | EP | disclosed |
| US-5744610-A | Herbicidal compounds | ZENECA LIMITED (GB) | 1998-04-28 | — | — | US | disclosed |
| US-5563115-A | PRE- AND POSTEMERGENCE HERBICIDES | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |
| US-5426091-A | Herbicidal compounds | ZENECA LIMITED (GB) | 1995-06-20 | — | — | US | disclosed |
| US-5266552-A | Biological antigrowth agents for plants | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-11-30 | — | — | US | disclosed |
| US-5250501-A | Herbicidal compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-05 | — | — | US | disclosed |
| US-5234895-A | Arylpyridone herbicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-08-10 | — | — | US | disclosed |
| US-5232895-A | Postemergence herbicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-08-03 | — | — | US | disclosed |
| US-4912262-A | Reacting a cyclohexane-1,3,5-trione compound with a acylnitrile in presence of a base and Lewis acid | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-27 | — | — | US | disclosed |
| EP-0355049-A2 | Heterocyclic compounds | ZENECA LIMITED (GB) | 1990-02-21 | — | — | EP | disclosed |
| EP-0234674-B1 | HERBICIDAL COMPOSITION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-07-19 | — | — | EP | disclosed |
| EP-0302599-A2 | Bicyclo-octane and bicyclo-nonane derivatives, processes for their preparation and their use as herbicides | HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND, DEPARTMENT OF SCIENTIFIC AND INDUSTRIAL RESEARCH, CHEMISTRY DIVISON (NZ) | 1989-02-08 | — | — | EP | disclosed |
| EP-0283261-A2 | Herbicidal substituted cyclic diones | ZENECA LIMITED (GB) | 1988-09-21 | — | — | EP | disclosed |
| EP-0283152-A2 | Process for the preparation of substituted cyclohexane-1,3,5-triones | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-21 | — | — | EP | disclosed |
| EP-0266068-A1 | Herbicidal composition | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-04 | — | — | EP | disclosed |
| EP-0248554-A2 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-12-09 | — | — | EP | disclosed |
| EP-0234674-A1 | Herbicidal composition | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-09-02 | — | — | EP | disclosed |
| EP-0228788-A1 | Herbicidal derivatives of substituted benzoyl-hydrazinium compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-15 | — | — | EP | disclosed |