Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Chlordiazepoxide. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.31 |
| ▸ | CCKBR | P32239 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| Chlordiazepoxide SCHEMBL3179106 | 0.93 | CYP1A2 (0.64) | CYP1A2KDM4ESHMT1SHMT2TP53 | |
| Chlordiazepoxide SCHEMBL1347763 | 0.92 | CYP1A2 (0.61) | CYP1A2KDM4ESHMT1SHMT2TP53 | |
| Chlordiazepoxide SCHEMBL11782736 | 0.91 | CYP1A2 (0.65) | CYP1A2KDM4ESHMT1SHMT2TP53 | |
| Chlordiazepoxide SCHEMBL8567512 | 0.91 | CYP1A2 (0.60) | CYP1A2KDM4ESHMT1SHMT2TP53 | |
| Chlordiazepoxide SCHEMBL29358041 | 0.91 | CYP1A2 (0.60) | CYP1A2KDM4ETP53RXFP1MAPT | |
| Chlordiazepoxide SCHEMBL10887473 | 0.91 | CYP1A2 (0.60) | CYP1A2KDM4ETP53RXFP1MAPT | |
| Chlordiazepoxide SCHEMBL3045961 | 0.90 | CYP1A2 (0.60) | CYP1A2KDM4ESHMT1SHMT2TP53 | |
| Chlordiazepoxide SCHEMBL5974493 | 0.90 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1MAPT | |
| Chlordiazepoxide SCHEMBL9069069 | 0.90 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1MAPT | |
| Chlordiazepoxide SCHEMBL19181183 | 0.90 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1MAPT |
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-20030229145-A1 | Pain treatment methods and compositions | GRUENENTHAL GMBH (DE) | 2003-12-11 | — | — | US | 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 (1 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-20030229145-A1 | Pain treatment methods and compositions | AADAT, BCAT2, BCAT1 | CYP1A2 3337/4885KDM4E 3937/4885SHMT1 3535/4885 |
“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.