Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11465322 | 0.87 | ADRA1A (0.45) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7722823 | 0.86 | GABRA1 (0.70) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL3142613 | 0.86 | GABRA1 (0.70) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL13585027 | 0.86 | ADRA1A (0.61) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11462395 | 0.86 | CHRM1 (0.58) | ADRA1ACHRM1KMT2AMEN1 | |
| SCHEMBL21272249 | 0.83 | CHRM1 (0.58) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL21272128 | 0.83 | CHRM1 (0.58) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11388845 | 0.83 | GABRA1 (0.73) | GABRA1GABRA5GABRA3GABRA2GABRB2 | |
| SCHEMBL11462229 | 0.81 | GABRA1 (0.54) | ADRA1AGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11385919 | 0.81 | GABRA1 (0.61) | GABRA1GABRA5GABRA3GABRA2GABRB2 |
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-4232016-A | 3-Fluorobenzodiazepines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-11-04 | — | — | US | claimed |
| US-4232016-A | 3-Fluorobenzodiazepines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-11-04 | — | — | US | disclosed |