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.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.79 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Halothane SCHEMBL337605 | 0.89 | — | — | |
| Halothane SCHEMBL443681 | 0.89 | — | — | |
| Halothane SCHEMBL1612295 | 0.89 | HSD17B10 (1.00) | HSD17B10ALDH1A1MEN1KMT2A | |
| Halothane SCHEMBL25588 | 0.89 | — | — | |
| Halothane SCHEMBL1295253 | 0.85 | — | — | |
| Halothane SCHEMBL5961792 | 0.85 | HSD17B10 (0.92) | HSD17B10ALDH1A1MEN1KMT2A | |
| Halothane SCHEMBL15475924 | 0.81 | — | — | |
| Halothane SCHEMBL6289622 | 0.81 | — | — | |
| Halothane SCHEMBL10725043 | 0.79 | — | — | |
| Halothane SCHEMBL9138026 | 0.71 | ALDH1A1 (0.65) | HSD17B10ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5648375-A | Use of hydrophobic compounds and anesthetics in combination with allosteric hemoglobin modifiers | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1997-07-15 | — | — | US | disclosed |