Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Butabarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.69 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.69 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| Butabarbital SCHEMBL122122 | 0.98 | CYP3A4 (0.71) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Butabarbital SCHEMBL79254 | 0.98 | CYP3A4 (0.71) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Butabarbital SCHEMBL79255 | 0.98 | CYP3A4 (0.71) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Butabarbital SCHEMBL122123 | 0.96 | CYP3A4 (0.69) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Butabarbital SCHEMBL8717769 | 0.94 | CYP3A4 (0.67) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| SCHEMBL120258 | 0.82 | LMNA (0.73) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL2376470 | 0.82 | CYP3A4 (1.00) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| SCHEMBL9305362 | 0.82 | CYP3A4 (0.67) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| SCHEMBL120257 | 0.82 | LMNA (0.73) | CYP3A4ALDH1A1KDM4EGABRB3OPRD1 | |
| Pentobarbital SCHEMBL735353 | 0.82 | CYP3A4 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428772-A1 | Treatment of colic and teething | Thornfeldt, Carl Richard (US) | 1991-05-29 | — | — | EP | disclosed |
| EP-0349657-A1 | Manufacture of a medicament for the treatment of teething and colic | Thornfeldt, Carl Richard (US) | 1990-01-10 | — | — | EP | disclosed |
| US-4889850-A | Treatment of colic and teething | THORNFELDT CARL R (US) | 1989-12-26 | — | — | US | disclosed |