Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL11397434 | 0.90 | PTAFR (0.39) | CA12CA9SMN1; SMN2PTAFR | |
| SCHEMBL11403505 | 0.85 | BRD4 (0.34) | SMN1; SMN2HSD17B10EDNRBEDNRABRD4 | |
| SCHEMBL11404224 | 0.84 | CA12 (0.38) | CA12CA9SMN1; SMN2PTAFREDNRB | |
| SCHEMBL11397278 | 0.84 | GABRA1 (0.36) | SMN1; SMN2KDM4EALDH1A1TLR8 | |
| SCHEMBL11402761 | 0.83 | TLR8 (0.46) | SMN1; SMN2BRD4RECQLKDM4EMEN1 | |
| SCHEMBL8316695 | 0.81 | BRD4 (0.46) | SMN1; SMN2HCAR1HSD17B10BRD4MEN1 | |
| SCHEMBL11401666 | 0.80 | BRD4 (0.50) | CA12CA9SMN1; SMN2PTAFREDNRB | |
| SCHEMBL11403863 | 0.76 | CA12 (0.38) | CA12CA9BRD4MEN1ALDH1A1 | |
| SCHEMBL14030321 | 0.76 | CA12 (0.38) | CA12CA9SMN1; SMN2BRD4MEN1 | |
| SCHEMBL11396744 | 0.74 | CYP11B2 (0.38) | SMN1; SMN2PTAFRBRD4 |
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 |