Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 5/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 14/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GLP1R | P43220 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2313391 | 0.91 | S1PR3 (0.34) | S1PR3MDM2GLP1R | |
| SCHEMBL3345533 | 0.88 | S1PR3 (0.36) | S1PR3 | |
| SCHEMBL2308354 | 0.88 | S1PR3 (0.33) | S1PR3GLP1R | |
| SCHEMBL2306426 | 0.81 | CYP2C9 (0.35) | S1PR3 | |
| SCHEMBL2356247 | 0.75 | MAPT (0.31) | MDM2 | |
| SCHEMBL2311690 | 0.74 | GNRHR (0.35) | — | |
| SCHEMBL2310282 | 0.74 | FEN1 (0.38) | S1PR3GLP1R | |
| SCHEMBL2313425 | 0.72 | GNRHR (0.39) | S1PR3MDM2 | |
| SCHEMBL1364329 | 0.70 | S1PR3 (0.38) | S1PR3 | |
| SCHEMBL1367105 | 0.69 | CYP1B1 (0.39) | S1PR3GLP1R |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | disclosed |