Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.81 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.81 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.81 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.81 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.81 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.81 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.81 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.81 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.81 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.81 |
| ▸ | ESR1 | P03372 | 2/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.81 |
| ▸ | TACR2 | P21452 | 2/20 | 0.81 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | SHBG | P04278 | 1/20 | 0.81 |
| ▸ | TP53 | P04637 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
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 SCHEMBL2183411 | 1.00 | PTGS2 (0.81) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| Sulfuric Acid SCHEMBL11228881 | 1.00 | PTGS2 (0.81) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| Sulfuric Acid SCHEMBL27546180 | 0.98 | PTGS2 (0.79) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| 4-Octylphenol SCHEMBL21351677 | 0.98 | PTGS2 (0.79) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| 4-Nonylphenol SCHEMBL9118746 | 0.98 | PTGS2 (0.79) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| 4-Nonylphenol SCHEMBL1457338 | 0.98 | PTGS2 (0.79) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| 4-Octylphenol SCHEMBL7640104 | 0.98 | PTGS2 (0.79) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| 4-Nonylphenol SCHEMBL21351680 | 0.98 | PTGS2 (0.79) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| Sulfuric Acid SCHEMBL1101445 | 0.98 | ESR1 (0.78) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| 4-Nonylphenol SCHEMBL8531308 | 0.96 | PTGS2 (0.76) | PTGS2ESR1ADRA2AADORA3TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4643805-A | CONTAINING UNSATURATED OXO PYRIDINE, AROMATIC, FURAN, OR THIOPHENE COMPOUND | POPESCU FRANCINE (FR) | 1987-02-17 | — | — | US | claimed |
| US-6458230-B1 | Preparation of recyclable fiber composites | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-01 | — | — | US | disclosed |
| US-6451141-B1 | AQUEOUS DISPERSION OF FILLER AND POLYMER | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |
| US-6380353-B1 | FREE RADICAL POLYMERIZATION OF UNSATURATED COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-30 | — | — | US | disclosed |
| US-6284004-B1 | USING AQUEOUS INK COMPRISING ONE DISPERSE DYE, ANIONIC COPOLYMER BASED ON ACRYLIC ACID AND STYRENE, AND/OR DISPERSANT; GOOD FASTNESS PRINTING INKS | CIBA SPECIALTY CHEMICALS CORPORATION | 2001-09-04 | — | — | US | disclosed |
| US-5756574-A | RESIDUAL MONOMER CONTENT REDUCED BY ACTION OF A FREE RADICAL REDOX INITIATOR SYSTEM | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-26 | — | — | US | disclosed |