Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Adinazolam. 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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.85 |
| ▸ | HPGD | P15428 | 4/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.70 |
| ▸ | RECQL | P46063 | 1/20 | 0.70 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.61 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.61 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.61 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.61 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.61 |
| ▸ | BRD4 | O60885 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CNR1 | P21554 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Adinazolam SCHEMBL123268 | 0.99 | OPRK1 (0.87) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| Adinazolam SCHEMBL29358737 | 0.92 | OPRK1 (1.00) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| Adinazolam SCHEMBL35430 | 0.92 | OPRK1 (1.00) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11825237 | 0.90 | HPGD (0.73) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11606370 | 0.86 | OPRK1 (0.84) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11863331 | 0.84 | OPRK1 (0.84) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| Cyclohexane SCHEMBL11823207 | 0.84 | OPRK1 (0.68) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11346962 | 0.84 | OPRK1 (0.83) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL7314825 | 0.83 | HPGD (0.77) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL10811588 | 0.83 | HPGD (0.73) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 |
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-4684725-A | Non-hygroscopic adinazolam methanesulfonate salt and process therefor | THE UPJOHN COMPANY (US) | 1987-08-04 | — | — | US | claimed |
| EP-0219541-A1 | TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES. | UPJOHN CO (US) | 1987-04-29 | — | — | EP | claimed |
| WO-1986006631-A2 | TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES | THE UPJOHN COMPANY (US) | 1986-11-20 | — | — | WO | claimed |
| EP-0146306-B1 | ADINAZOLAM METHANESULFONATE | THE UPJOHN COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |
| US-4684725-A | Non-hygroscopic adinazolam methanesulfonate salt and process therefor | THE UPJOHN COMPANY (US) | 1987-08-04 | — | — | US | disclosed |
| EP-0146306-A1 | Adinazolam methanesulfonate | THE UPJOHN COMPANY (US) | 1985-06-26 | — | — | EP | disclosed |