Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 4-Octylphenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.76 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.76 |
| ▸ | TACR2 | P21452 | 2/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.76 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | SHBG | P04278 | 1/20 | 0.76 |
| ▸ | TP53 | P04637 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.76 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.76 |
| ▸ | HTR2C | P28335 | 1/20 | 0.76 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.76 |
| ▸ | TST | Q16762 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| 4-Nonylphenol SCHEMBL5935181 | 1.00 | ESR1 (0.76) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Sulfuric Acid SCHEMBL5935174 | 1.00 | ESR1 (0.76) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Nonylphenol SCHEMBL2183411 | 0.89 | PTGS2 (0.81) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Octylphenol SCHEMBL7643105 | 0.89 | PTGS2 (0.81) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Sulfuric Acid SCHEMBL11228881 | 0.89 | PTGS2 (0.81) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL8508122 | 0.88 | PTGS2 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL7749305 | 0.88 | PTGS2 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Octylphenol SCHEMBL21351677 | 0.88 | PTGS2 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Nonylphenol SCHEMBL21351680 | 0.88 | PTGS2 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Octylphenol SCHEMBL7640104 | 0.88 | PTGS2 (0.79) | 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-6429252-B1 | COMPRISING POLYOXYALKYLENE GLYCOLS, OPTIONALLY ETHERIFIED OR ESTERIFIED; USE AS CURING AGENTS IN AQUEOUS COATING COMPOSITIONS | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-06 | — | — | US | disclosed |
| US-20020040091-A1 | EMULSIFIERS FOR AMINO RESINS | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-04 | — | — | US | disclosed |