Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGLRA1GLRBKCNK10KCNK18KCNK2KCNK3KCNK9
The experimentally established mechanism targets of Halothane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Halothane SCHEMBL1295253 | 0.96 | — | — | |
| Halothane SCHEMBL443681 | 0.92 | — | — | |
| Halothane SCHEMBL1612295 | 0.92 | HSD17B10 (1.00) | — | |
| Halothane SCHEMBL337605 | 0.92 | — | — | |
| Halothane SCHEMBL25588 | 0.92 | — | — | |
| Halothane SCHEMBL5961792 | 0.88 | HSD17B10 (0.92) | — | |
| Halothane SCHEMBL15475924 | 0.85 | — | — | |
| Halothane SCHEMBL8902191 | 0.81 | HSD17B10 (0.79) | — | |
| Halothane SCHEMBL10725043 | 0.81 | — | — | |
| Halothane SCHEMBL9138026 | 0.74 | ALDH1A1 (0.65) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6894048-B2 | Sulfur containing dihydrophthalazine antagonists of excitatory amino acid receptors | TRANSGENOMIC, INC. (US) | 2005-05-17 | — | — | US | disclosed |
| US-6887867-B2 | 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors | TRANSGENOMIC, INC. (US) | 2005-05-03 | — | — | US | disclosed |
| EP-0937047-B1 | 1-ARYLPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | BEARSDEN BIO INC (US) | 2004-08-11 | — | — | EP | disclosed |
| US-20040058928-A1 | Sulfur Containing dihydrophthalazine antagonists of excitatory amino acid receptors | ANNOVIS, INC. | 2004-03-25 | — | — | US | disclosed |
| US-6703390-B2 | SEDATIVES, NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS | TRANSGENOMIC, INC. | 2004-03-09 | — | — | US | disclosed |
| EP-1365758-A2 | METHOD FOR MODULATION, STIMULATION, AND INHIBITION OF GLUTAMATE REUPTAKE | Annovis, Inc. (US) | 2003-12-03 | — | — | EP | disclosed |
| EP-1314041-A2 | SCREEN FOR GLUTAMATE REUPTAKE INHIBITORS, STIMULATORS, AND MODULATORS | Annovis, Inc. (US) | 2003-05-28 | — | — | EP | disclosed |
| EP-1274689-A2 | SULFUR CONTAINING DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | Annovis, Inc. (US) | 2003-01-15 | — | — | EP | disclosed |
| US-20020188022-A1 | Methods for modulation, stimulation, and inhibition of glutamate reuptake | ANNOVIS. INC. | 2002-12-12 | — | — | US | disclosed |
| US-20020115688-A1 | Screen for glutamate reuptake inhibitors, stimulators, and modulators | ANNOVIS, INC. | 2002-08-22 | — | — | US | disclosed |
| WO-2002018941-A2 | SCREEN FOR GLUTAMATE REUPTAKE INHIBITORS, STIMULATORS, AND MODULATORS | ANNOVIS, INC. (US) | 2002-03-07 | — | — | WO | disclosed |
| US-20020025958-A1 | 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors | TRANSGENOMIC, INC. | 2002-02-28 | — | — | US | disclosed |
| US-20020006925-A1 | Sulfur containing dihydrophthalazine antagonists of excitatory amino acid receptors | TRANSGENOMIC, INC. | 2002-01-17 | — | — | US | disclosed |
| WO-2001079181-A2 | SULFUR CONTAINING DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | ANNOVIS, INC. (US) | 2001-10-25 | — | — | WO | disclosed |
| US-6048853-A | PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS | BEARSDEN BIO, INC. (US) | 2000-04-11 | — | — | US | disclosed |
| EP-0937047-A1 | 1-ARYLPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | Bearsden Bio, Inc. (US) | 1999-08-25 | — | — | EP | disclosed |
| EP-0859763-A1 | DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | Bearsden Bio, Inc. (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5716956-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | BEARSDEN BEARSDEN BIO, INC. (US) | 1998-02-10 | — | — | US | disclosed |
| WO-1997026247-A1 | 1-ARYLPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | SYMPHONY PHARMACEUTICALS, INC. (US) | 1997-07-24 | — | — | WO | disclosed |
| WO-1996040646-A1 | DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | SYMPHONY PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |