Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 18/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23628680 | 0.78 | S1PR1 (0.36) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL23628689 | 0.77 | NOTUM (0.36) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL26179842 | 0.77 | NOTUM (0.44) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL8990346 | 0.76 | OPRL1 (0.39) | S1PR1S1PR4S1PR5S1PR3NOTUM | |
| SCHEMBL23628683 | 0.76 | S1PR1 (0.35) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL8633743 | 0.76 | SLC9A1 (0.45) | NOTUM | |
| SCHEMBL3847497 | 0.76 | S1PR1 (0.46) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL20863852 | 0.73 | S1PR1 (0.47) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL1864602 | 0.73 | IDO1 (0.54) | S1PR1S1PR4S1PR5ADORA3S1PR3 | |
| SCHEMBL20010439 | 0.72 | HTR2C (0.62) | — |
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-5536725-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1996-07-16 | — | — | US | disclosed |