Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Thiopental. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.71 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.71 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.71 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Thiopental SCHEMBL1611312 | 0.98 | LMNA (1.00) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Thiopental SCHEMBL40814 | 0.98 | LMNA (1.00) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Thiopental SCHEMBL28832536 | 0.89 | LMNA (0.82) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL7639355 | 0.85 | CYP3A4 (0.96) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| SCHEMBL122119 | 0.85 | LMNA (0.71) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL26056 | 0.85 | CYP3A4 (0.96) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL26057 | 0.85 | CYP3A4 (0.96) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL3695587 | 0.85 | CYP3A4 (0.96) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| SCHEMBL122120 | 0.85 | LMNA (0.71) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL9476253 | 0.85 | CYP3A4 (0.96) | LMNACYP3A4KDM4EALDH1A1GABRB3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004108061-A2 | STABLE INJECTABLE PHARMACEUTICAL COMPOSITION OF THIOPENTAL; METHOD FOR STABILIZING AQUEOUS SOLUTIONS OF THIOPENTAL AND, USE OF THIOPENTAL FOR PRODUCING A MEDICAMENT | Cristália Produtos Químicos Farmacêuticos Ltda. (BR) | 2004-12-16 | — | — | WO | disclosed |
| EP-0002236-B1 | PEPTIDES, THEIR SALTS, THEIR ACID ADDITION SALTS, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND THEIR USE AS MORPHINE ANTAGONISTS AND ANAESTHETICS | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-02-05 | — | — | EP | disclosed |
| EP-0000559-B1 | PENTAPEPTIDE-N-ALKYLAMIDES AND THEIR ACID ADDITION SALTS, METHODS FOR PREPARATION OF THESE COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1983-10-05 | — | — | EP | disclosed |
| US-4363800-A | PEPTIDES USEFUL AS ANTITUSSIVES AND AS ANTI-DIARRHDEALS | BURROUGHS WELLCOME CO. (US) | 1982-12-14 | — | — | US | disclosed |
| US-4362717-A | ANTITUSSIVE AGENTS | BURROUGHS WELLCOME CO. (US) | 1982-12-07 | — | — | US | disclosed |
| US-4346083-A | ANTIDIARRHEAL AND ANTITUSSIVE OLIGOPEPTIDES | BURROUGHS WELLCOME CO. (US) | 1982-08-24 | — | — | US | disclosed |
| US-4343795-A | OLIGOPEPTIDES; ANTIDIARRHEA, ANTITUSSIVE | BURROUGHS WELLCOME CO. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4299836-A | ANTISEROTONINE AGENTS, ANTIDEPRESSANTS, ANTIHYPERTENSIVE AGENTS | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1981-11-10 | — | — | US | disclosed |
| US-4244945-A | ANALGESICS, ANESTHETICS, OLIGOPEPTIDES | BURROUGHS WELLCOME CO. (US) | 1981-01-13 | — | — | US | disclosed |
| US-4244944-A | OLIGOPEPTIDE OF TYROSINE, METHIONINE (OPTIONALLY OXIDIZED), GLYCINE, NITROPHENYLALANINE, PROLINAMIDE | BURROUGHS WELLCOME CO. (US) | 1981-01-13 | — | — | US | disclosed |
| US-4162307-A | Method for anaesthesia by use of a pentapeptide | BURROUGHS WELLCOME CO. (US) | 1979-07-24 | — | — | US | disclosed |
| EP-0000559-A1 | Pentapeptide-N-alkylamides and their acid addition salts, methods for preparation of these compounds and pharmaceutical formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-02-07 | — | — | EP | disclosed |
| US-3934004-A | Stain resistant anti-perspirant composition | ORREN LEONARD J | 1976-01-20 | — | — | US | disclosed |