Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Pentobarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 1.00 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 1.00 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | OPRD1 | P41143 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 5/20 | 0.73 |
| ▸ | MMP9 | P14780 | 4/20 | 0.67 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pentobarbital SCHEMBL2376470 | 1.00 | CYP3A4 (1.00) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL24966 | 1.00 | CYP3A4 (1.00) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL26057 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL4207760 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL7639355 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL1256614 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL3695587 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL26056 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL3245534 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL30173355 | 0.98 | CYP3A4 (0.96) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 |
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 1559 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240282425-A1 | AUTHENTICATION METHODS AND SYSTEMS FOR DISPENSED PRESCRIPTIONS | LOW GORDON KEITH (US) | 2024-08-22 | — | — | US | claimed |
| US-20200345722-A1 | ABUSE-DETERRENT DRUG FORMULATIONS | COLLEGIUM PHARMACEUTICAL INC (US) | 2020-11-05 | — | — | US | claimed |
| US-20200345723-A1 | ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS | COLLEGIUM PHARMACEUTICAL INC (US) | 2020-11-05 | — | — | US | claimed |
| US-20200093820-A1 | ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS | COLLEGIUM PHARMACEUTICAL, INC. (US) | 2020-03-26 | — | — | US | claimed |
| US-20200093819-A1 | ABUSE-DETERRENT DRUG FORMULATIONS | COLLEGIUM PHARMACEUTICAL, INC. | 2020-03-26 | — | — | US | claimed |
| CN-109568337-A | A kind of keratitis animal model preparation method and application | 成都合拓创展生物科技有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-109453155-A | For assessing the construction method of the tree shrew model of anti-influenza virus medicament pharmacokinetics and pharmacodynamics | 广州医科大学附属第医院 | 2019-03-12 | — | — | CN | claimed |
| CN-109439613-A | MICE FETAL LIVER stroma cell construction method and its application in hematopoiesis auxiliary | 上海市儿童医院 | 2019-03-08 | — | — | CN | claimed |
| CN-109224070-A | The construction method of influenza B virus tree shrew model | 广州医科大学附属第医院 | 2019-01-18 | — | — | CN | claimed |
| EP-3326617-A1 | ABUSE-DETERRENT DRUG FORMULATIONS | Collegium Pharmaceutical, Inc. (US) | 2018-05-30 | — | — | EP | claimed |
| US-20090297617-A1 | ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS | COLLEGIUM PHARMACEUTICALS INC. | 2009-12-03 | — | — | US | claimed |
| EP-1594467-A4 | ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS | COLLEGIUM PHARMACEUTICAL INC (US) | 2008-10-22 | — | — | EP | claimed |
| US-7399488-B2 | Abuse-deterrent pharmaceutical compositions of opiods and other drugs | COLLEGIUM PHARMACEUTICAL, INC. (US) | 2008-07-15 | — | — | US | claimed |
| EP-1765292-A1 | ABUSE-DETERRENT DRUG FORMULATIONS | Collegium Pharmaceutical, Inc. (US) | 2007-03-28 | — | — | EP | claimed |
| WO-2005123039-A1 | ABUSE-DETERRENT DRUG FORMULATIONS | COLLEGIUM PHARMACEUTICAL, INC. (US) | 2005-12-29 | — | — | WO | claimed |
| US-20050281748-A1 | Abuse-deterrent drug formulations | COLLEGIUM PHARMACEUTICAL, INC. | 2005-12-22 | — | — | US | claimed |
| EP-1594467-A1 | ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS | Collegium Pharmaceutical, Inc. (US) | 2005-11-16 | — | — | EP | claimed |
| US-20040052731-A1 | Abuse-deterrent pharmaceutical compositions of opiods and other drugs | COLLEGIUM PHARMACEUTICALS, INC. | 2004-03-18 | — | — | US | claimed |
| WO-2004004693-A1 | ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIODS AND OTHER DRUGS | COLLGEGIUM PHARMACEUTICAL (US) | 2004-01-15 | — | — | WO | claimed |
| EP-0408496-A2 | Solid dosage form for pharmaceutical substances | CIBA-GEIGY AG (CH) | 1991-01-16 | — | — | EP | claimed |