Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 7/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.53 |
| ▸ | CCKBR | P32239 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11116621 | 0.91 | OPRK1 (0.54) | OPRK1PDE4DCCKBRCHRM1LMNA | |
| SCHEMBL7895739 | 0.86 | OPRK1 (0.56) | OPRK1PDE4DCCKBRCHRM1LMNA | |
| SCHEMBL10811993 | 0.85 | OPRK1 (0.55) | OPRK1PDE4DCCKBRCHRM1LMNA | |
| SCHEMBL11117909 | 0.85 | CCKBR (0.49) | OPRK1PDE4DCCKBRLMNAPDE3A | |
| SCHEMBL5160251 | 0.82 | OPRK1 (0.58) | OPRK1PDE4DCCKBRCHRM1LMNA | |
| SCHEMBL11084788 | 0.80 | OPRK1 (0.49) | OPRK1PDE4DCCKBRCHRM1LMNA | |
| SCHEMBL11608679 | 0.79 | OPRK1 (0.45) | OPRK1PDE4DCCKBRADRA1AGABRA1 | |
| SCHEMBL19006733 | 0.79 | CCKBR (0.51) | OPRK1PDE4DCCKBR | |
| SCHEMBL19006657 | 0.79 | CCKBR (0.51) | OPRK1PDE4DCCKBR | |
| SCHEMBL11034765 | 0.77 | OPRK1 (0.55) | OPRK1PDE4DCCKBRCHRM1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4009175-A | 1-[(Aminooxy)-methyl]-6-substituted-4H-s-triazolo[4,3-a][1,4] benzodiazepines | THE UPJOHN COMPANY (US) | 1977-02-22 | — | — | US | disclosed |