Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12642663 | 0.81 | CYP4F2 (0.50) | NPSR1 | |
| SCHEMBL16555880 | 0.81 | MCL1 (0.54) | NPSR1FFAR1FFAR4POLBMCL1 | |
| SCHEMBL31689801 | 0.79 | NPSR1 (0.68) | NPSR1FFAR1FFAR4RXRARXRB | |
| SCHEMBL324789 | 0.79 | NPSR1 (0.68) | NPSR1FFAR1FFAR4RXRARXRB | |
| SCHEMBL7102470 | 0.77 | NPSR1 (0.66) | NPSR1FFAR1FFAR4RXRARXRB | |
| SCHEMBL12164519 | 0.76 | ALDH1A1 (0.42) | POLBMCL1AKR1C3AKR1C2 | |
| SCHEMBL5518254 | 0.76 | NPSR1 (0.63) | NPSR1FFAR1FFAR4RXRARXRB | |
| SCHEMBL7381013 | 0.76 | NPSR1 (0.63) | NPSR1FFAR1FFAR4RXRARXRB | |
| SCHEMBL4817531 | 0.76 | NPSR1 (0.63) | NPSR1FFAR1FFAR4RXRARXRB | |
| SCHEMBL10745896 | 0.76 | NPSR1 (0.63) | NPSR1FFAR1FFAR4RXRARXRB |
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-5208240-A | Alzeheimer's, cardiovascular, respiratory | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0503563-A2 | Novel 8-substituted purines as selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1992-09-16 | — | — | EP | disclosed |