Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Pentobarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.45 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Pentobarbital SCHEMBL1451667 | 0.92 | CYP3A4 (0.53) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL6822766 | 0.91 | LMNA (0.51) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL15659234 | 0.89 | LMNA (0.50) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL2126265 | 0.89 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1836479 | 0.88 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL9680904 | 0.88 | LMNA (0.46) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1247 | 0.88 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL7033991 | 0.88 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL9221628 | 0.88 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL286808 | 0.87 | LMNA (0.48) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9434822-B2 | Block copolymer, micelle preparation, and anticancer agent containing the same as active ingredient | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2016-09-06 | — | — | US | disclosed |
| US-20150259479-A1 | Novel Block Copolymer, Micelle Preparation, And Anticancer Agent Containing The Same As Active Ingredient | NIPPON KAYAKU KK (JP) | 2015-09-17 | — | — | US | disclosed |
| US-20140024703-A1 | Novel Block Copolymer, Micelle Preparation, And Anticancer Agent Containing The Same As Active Ingredient | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2014-01-23 | — | — | US | disclosed |
| EP-1792927-B1 | NOVEL BLOCK COPOLYMER, MICELLE PREPARATION, AND ANTICANCER AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT | NIPPON KAYAKU KK (JP) | 2013-03-06 | — | — | EP | disclosed |
| US-20080113028-A1 | Novel Block Copolymer, Micelle Preparation, And Anticancer Agent Containing The Same As Active Ingredient | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2008-05-15 | — | — | US | disclosed |
| EP-1792927-A1 | NOVEL BLOCK COPOLYMER, MICELLE PREPARATION, AND ANTICANCER AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT | Nippon Kayaku Kabushiki Kaisha (JP) | 2007-06-06 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140024703-A1 | Novel Block Copolymer, Micelle Preparation, And Anticancer Agent Containing The Same As Active Ingredient | BRCA1, ABCC1, ABCG2 | GABRB3 4607/4885GABRA2 4357/4885GABRB2 4417/4885 |
| US-20080113028-A1 | Novel Block Copolymer, Micelle Preparation, And Anticancer Agent Containing The Same As Active Ingredient | BRCA1, ABCC1, ABCG2 | GABRB3 4607/4885GABRA2 4357/4885GABRB2 4417/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.