Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of 2-Ethylhexanoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL9247433 | 0.98 | CA2 (0.72) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL48542 | 0.96 | CA2 (0.75) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL4085393 | 0.93 | CA2 (0.70) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL673434 | 0.90 | CA2 (0.70) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL4444995 | 0.90 | CA2 (0.70) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9116442 | 0.90 | CA2 (0.70) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL342218 | 0.90 | CA2 (0.70) | CA2MAPK1CA1CYP3A4TSHR | |
| SCHEMBL28863487 | 0.89 | CA2 (0.66) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL28301198 | 0.89 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| Dodecanoate SCHEMBL5301290 | 0.88 | CA2 (0.58) | CA2MAPK1CA1NFKB1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5607982-A | Flexible open-cell polyurethane foam | BASF CORPORATION (US) | 1997-03-04 | — | — | US | disclosed |
| WO-1996001867-A1 | FLEXIBLE OPEN-CELL POLYURETHANE FOAM | BASF CORPORATION (US) | 1996-01-25 | — | — | WO | disclosed |
| EP-0221412-B1 | PROCESS FOR THE PREPARATION OF GRAFT POLYMER DISPERSIONS AND FLAME-RETARDANT POLYURETHANE FOAMS | BASF Corporation (US) | 1991-12-18 | — | — | EP | disclosed |
| US-4994502-A | Process for the preparation of integral skin polyurethane steering wheels | BASF CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0312920-A2 | Flexible flame resistant polyurethane foams | BASF Corporation (US) | 1989-04-26 | — | — | EP | disclosed |
| US-4812350-A | FOOTWEAR, POLYESTER AND POLYETHER POLYOLS | BASF CORPORATION (US) | 1989-03-14 | — | — | US | disclosed |
| US-4810729-A | Flexible flame resistant polyurethane foams | BASF CORPORATION (US) | 1989-03-07 | — | — | US | disclosed |
| US-4803229-A | MIXED TOLUENE DIISOCYANATE AND BIURET-MODIFIED POLYMERIC DIPHENYLMETHANE DIISOCYANATE ARE REACTED WITH POLYOLS | BASF CORPORATION (US) | 1989-02-07 | — | — | US | disclosed |
| EP-0301297-A1 | Flame retardant polyurethane foams resistant to cigarette smoldering ignition | BASF Corporation (US) | 1989-02-01 | — | — | EP | disclosed |
| EP-0297519-A1 | Process for the preparation of integral skin polyurethane steering wheels | BASF Corporation (US) | 1989-01-04 | — | — | EP | disclosed |
| EP-0279276-A2 | Adhesion enhancer for covered polyurethane panels | BASF Corporation (US) | 1988-08-24 | — | — | EP | disclosed |
| EP-0239891-A2 | Flame retardant high density rigid polyurethane foams | BASF Corporation (US) | 1987-10-07 | — | — | EP | disclosed |
| US-4689354-A | STYRENE GRAFTED POLYESTERETHER POLYOLS, CHAIN TRANSFERAGENTS, UNSATURATION | BASF CORPORATION (US) | 1987-08-25 | — | — | US | disclosed |
| EP-0221412-A2 | Process for the preparation of graft polymer dispersions and flame-retardant polyurethane foams | BASF Corporation (US) | 1987-05-13 | — | — | EP | disclosed |
| EP-0149795-A1 | Polyoxyalkylene polyether polyols and polyurethane foams prepared therefrom | BASF Corporation (US) | 1985-07-31 | — | — | EP | disclosed |
| EP-0091036-A2 | Process for the preparation of white graft polymer dispersions and flame-retardant polyurethane foams | BASF Corporation (US) | 1983-10-12 | — | — | EP | disclosed |