Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774503 | 1.00 | SPHK1 (0.42) | SPHK1SPHK2FFAR1CHRNB2CHRNA2 | |
| SCHEMBL8774780 | 0.97 | SPHK1 (0.46) | SPHK1SPHK2FFAR1CHRNB2CHRNA2 | |
| SCHEMBL8774791 | 0.97 | SPHK1 (0.46) | SPHK1SPHK2FFAR1CHRNB2CHRNA2 | |
| SCHEMBL8774450 | 0.94 | SPHK1 (0.36) | SPHK1SPHK2FFAR1CHRNB2CHRNA2 | |
| SCHEMBL8774441 | 0.94 | SPHK1 (0.36) | SPHK1SPHK2FFAR1CHRNB2CHRNA2 | |
| SCHEMBL8774742 | 0.89 | CHRNB2 (0.36) | FFAR1CHRNB2CHRNA2CHRNB4CHRNA3 | |
| SCHEMBL8774736 | 0.89 | CHRNB2 (0.36) | FFAR1CHRNB2CHRNA2CHRNB4CHRNA3 | |
| SCHEMBL9160127 | 0.85 | SPHK1 (0.43) | SPHK1SPHK2FFAR1CHRNB2CHRNA4 | |
| SCHEMBL9160134 | 0.85 | SPHK1 (0.43) | SPHK1SPHK2FFAR1CHRNB2CHRNA4 | |
| SCHEMBL9766702 | 0.83 | SPHK1 (0.42) | SPHK1SPHK2FFAR1CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |