Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.62 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.62 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.62 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL1263302 | 0.86 | LMNA (0.65) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| SCHEMBL9305362 | 0.85 | CYP3A4 (0.67) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Butabarbital SCHEMBL79254 | 0.80 | CYP3A4 (0.71) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Butabarbital SCHEMBL122122 | 0.80 | CYP3A4 (0.71) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Butabarbital SCHEMBL122123 | 0.79 | CYP3A4 (0.69) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Butabarbital SCHEMBL9862052 | 0.79 | CYP3A4 (0.69) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL28807137 | 0.78 | CYP3A4 (0.93) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL2376470 | 0.77 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL735353 | 0.77 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Butabarbital SCHEMBL8717769 | 0.77 | CYP3A4 (0.67) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012058298-A1 | BIOMARKERS OF REDUCED INSULIN ACTION | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2012-05-03 | — | — | WO | disclosed |
| US-4036823-A | Barbituric acid antigenic conjugates, their preparation, antibodies and use | BIOLOGICAL DEVELOPMENTS, INC. (US) | 1977-07-19 | — | — | US | disclosed |