Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | CCKBR | P32239 | 5/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31629832 | 1.00 | OPRK1 (0.48) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25407597 | 0.88 | CCKBR (0.54) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL31366570 | 0.88 | CCKBR (0.54) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25413305 | 0.86 | OPRK1 (0.49) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25410541 | 0.84 | CCKBR (0.52) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25410549 | 0.84 | CCKBR (0.52) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL31366507 | 0.84 | OPRK1 (0.53) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25410938 | 0.84 | OPRK1 (0.53) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25410148 | 0.83 | OPRK1 (0.50) | OPRK1LMNAPDE3ACTSLCTSB | |
| SCHEMBL25410141 | 0.83 | OPRK1 (0.50) | OPRK1LMNAPDE3ACTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023172726-A1 | NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE | BARUCH S. BLUMBERG INSTITUTE (US) | 2023-09-14 | — | — | WO | disclosed |