Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.79 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.74 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.74 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.74 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.74 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.74 |
| ▸ | HPGD | P15428 | 4/20 | 0.74 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.74 |
| ▸ | BRD4 | O60885 | 2/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | CNR1 | P21554 | 1/20 | 0.74 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.57 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | GABRP | O00591 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11825281 | 0.88 | OPRK1 (0.78) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| SCHEMBL11113815 | 0.88 | GABRA1 (0.78) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| SCHEMBL11831627 | 0.87 | TDP1 (0.98) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| SCHEMBL7323630 | 0.86 | OPRK1 (0.80) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| Alprazolam SCHEMBL16922178 | 0.85 | GABRA1 (1.00) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| Alprazolam SCHEMBL5480614 | 0.85 | GABRA1 (1.00) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| Alprazolam SCHEMBL29381667 | 0.85 | GABRA1 (1.00) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| Alprazolam SCHEMBL8398 | 0.85 | GABRA1 (1.00) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| SCHEMBL11830462 | 0.85 | TDP1 (0.78) | TDP1OPRK1GABRA1GABRA5GABRA2 | |
| SCHEMBL11079877 | 0.85 | OPRK1 (0.77) | TDP1OPRK1GABRA1GABRA5GABRA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3991070-A | Process for preparing halo triazolo benzodiazepine | THE UPJOHN COMPANY (US) | 1976-11-09 | — | — | US | claimed |
| US-4455307-A | Antihypertensive use of triazolobenzodiazepines | THE UPJOHN COMPANY (US) | 1984-06-19 | — | — | US | disclosed |
| EP-0087850-A1 | Benzodiazepines for anti-hypertensive use | THE UPJOHN COMPANY (US) | 1983-09-07 | — | — | EP | disclosed |
| US-3991070-A | Process for preparing halo triazolo benzodiazepine | THE UPJOHN COMPANY (US) | 1976-11-09 | — | — | US | disclosed |
| US-3984545-A | 3,4-DIHYDROXY-PHENYL-1-ANALINE WITH BENZODIAZEPINES | THE UPJOHN COMPANY (US) | 1976-10-05 | — | — | US | disclosed |