Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 6/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 9/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 9/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.40 |
| ▸ | PTAFR | P25105 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.38 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401666 | 0.84 | BRD4 (0.50) | BRD4GABRA1GABRA5GABRA2GABRA3 | |
| SCHEMBL11396744 | 0.83 | CYP11B2 (0.38) | BRD4PTAFRSMN1; SMN2 | |
| SCHEMBL11400913 | 0.83 | BRD4 (0.35) | BRD4 | |
| SCHEMBL11403505 | 0.81 | BRD4 (0.34) | BRD4OPRK1HPGDSMN1; SMN2EDNRB | |
| SCHEMBL11401438 | 0.80 | BRD4 (0.53) | BRD4GABRA1GABRA5GABRA2GABRA3 | |
| SCHEMBL11405303 | 0.80 | SMN1; SMN2 (0.35) | BRD4SMN1; SMN2EDNRBEDNRA | |
| SCHEMBL11403673 | 0.80 | GABRA1 (0.53) | BRD4GABRA1GABRA5GABRA2GABRA3 | |
| SCHEMBL11409015 | 0.80 | PTAFR (0.41) | BRD4GABRA1GABRA5GABRA2GABRA3 | |
| SCHEMBL8311751 | 0.80 | BRD4 (0.72) | BRD4GABRA1GABRA5GABRA2GABRA3 | |
| SCHEMBL11544345 | 0.77 | GABRA1 (0.39) | BRD4GABRA1GABRA5GABRA2GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4296239-A | Amino-4H-s-triazolo[4,3-a][1,4]benzodiazepines | THE UPJOHN COMPANY (US) | 1981-10-20 | — | — | US | disclosed |
| US-4180668-A | Piperidino-4H-s-triazolo[4,3-a][1,4]benzodiazepines | THE UPJOHN COMPANY (US) | 1979-12-25 | — | — | US | disclosed |