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 | |
|---|---|---|---|---|
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.31 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.31 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.31 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.31 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.31 |
| ▸ | GABRG3 known ✓ | Q99928 | 1/20 | 0.31 |
| ▸ | GABRQ known ✓ | Q9UN88 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 SCHEMBL15774279 | 1.00 | CYP1A2 (0.58) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL5974493 | 0.99 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL19181183 | 0.99 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL9069069 | 0.99 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL8935 | 0.99 | CYP1A2 (0.59) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL15873851 | 0.98 | CYP1A2 (0.58) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL28570469 | 0.98 | CYP1A2 (0.58) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL20839240 | 0.98 | CYP1A2 (0.58) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL10887473 | 0.98 | CYP1A2 (0.60) | CYP1A2KDM4ETP53RXFP1RPS6KA3 | |
| Chlordiazepoxide SCHEMBL29358041 | 0.98 | CYP1A2 (0.60) | CYP1A2KDM4ETP53RXFP1RPS6KA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758576-A1 | TOPICAL AND INTRAVAGINAL MICROBICIDAL AND ANTIPARASITIC COMPOSITIONS COMPRISING QUASSINOIDS OR QUASSIONID-CONTAINING PLANT EXTRACTS | Diehl, Christian (ES) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005092329-A1 | TOPICAL AND INTRAVAGINAL MICROBICIDAL ANTIPARASITIC COMPOSITIONS COMPRISING QUASSINOIDS OR QUASSINOID-CONTAINING PLANT EXTRACTS | DIEHL CHRISTIAN (AR) | 2005-10-06 | — | — | WO | disclosed |