Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Esoxybutynin. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 6/20 | 0.98 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | RECQL | P46063 | 1/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.98 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.98 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.98 |
| ▸ | PKM | P14618 | 1/20 | 0.98 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.98 |
| ▸ | THPO | P40225 | 1/20 | 0.98 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Oxybutynin SCHEMBL5494388 | 1.00 | MEN1 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Aroxybutynin SCHEMBL27093068 | 1.00 | MEN1 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Oxybutynin SCHEMBL8019436 | 1.00 | MEN1 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Oxybutynin SCHEMBL25751 | 1.00 | MEN1 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Oxybutynin SCHEMBL1560964 | 0.99 | CHRM2 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Esoxybutynin SCHEMBL290373 | 0.99 | CHRM2 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Oxybutynin SCHEMBL2992 | 0.99 | CHRM2 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Aroxybutynin SCHEMBL25880 | 0.99 | CHRM2 (1.00) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Oxybutynin SCHEMBL7557853 | 0.98 | CHRM2 (0.98) | MEN1RECQLPMP22KMT2ANPSR1 | |
| Oxybutynin SCHEMBL7895841 | 0.98 | CHRM2 (0.98) | MEN1RECQLPMP22KMT2ANPSR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1424321-B1 | Synthesis of optically active cyclohexylphenylglycolate esters | SEPRACOR INC (US) | 2006-07-05 | — | — | EP | disclosed |
| EP-1642883-A2 | Optically active cyclohexylphenylglycolate esters | SEPRACOR Inc (US) | 2006-04-05 | — | — | EP | disclosed |
| EP-1424321-A1 | Synthesis of optically active cyclohexylphenylglycolate esters | Sepracor, Inc. (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1191930-A2 | METHODS FOR TREATMENT OF ASTHMA USING S-OXYBUTYNIN | Sepracor Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1185498-A2 | SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS | Sepracor Inc. (US) | 2002-03-13 | — | — | EP | disclosed |
| US-6294582-B1 | THERAPY OF REVERSIBLE OBSTRUCTIVE PULMONARY DISEASE BY ADMINISTERING OPTICALLY PURE S-OXYBUTYNIN OR ITS SALT | SEPRACOR INC. | 2001-09-25 | — | — | US | disclosed |
| WO-2001049267-A1 | MULTI-TABLET OXYBUTYNIN SYSTEM FOR TREATING INCONTINENCE | OSMOTICA CORP. (VG) | 2001-07-12 | — | — | WO | disclosed |
| US-6248359-B1 | SUSTAINED RELEASE | LABORATORIOS PHOENIX U.S.A., INC. (AR) | 2001-06-19 | — | — | US | disclosed |
| WO-2000071108-A2 | METHODS FOR TREATMENT OF ASTHMA USING S-OXYBUTYNIN | SEPRACOR INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| US-6140529-A | Synthesis of optically active cyclohexylphenylglycolate esters | SEPRACOR INC. (US) | 2000-10-31 | — | — | US | disclosed |
| US-6090971-A | Resolution process for cyclohexylphenyl glycolic acid | SEPRACOR INC. (US) | 2000-07-18 | — | — | US | disclosed |
| WO-2000023414-A2 | SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS | SEPRACOR INC. (US) | 2000-04-27 | — | — | WO | disclosed |
| US-5973182-A | Carbonate Intermediates useful in the preparation of optically active cyclohexylphenylglycolate esters | SEPRACOR INC. (US) | 1999-10-26 | — | — | US | disclosed |