Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10800672 | 0.98 | CXCR4 (0.31) | CXCR4 | |
| SCHEMBL11705381 | 0.93 | EBP (0.41) | S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL10711052 | 0.89 | — | — | |
| SCHEMBL11708345 | 0.88 | MEN1 (0.34) | S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL10802292 | 0.87 | GBA2 (0.33) | HRH3 | |
| SCHEMBL4113851 | 0.86 | KEAP1 (0.31) | — | |
| SCHEMBL11305147 | 0.84 | OPRD1 (0.31) | — | |
| SCHEMBL10502853 | 0.83 | ALOX15 (0.32) | — | |
| SCHEMBL10797029 | 0.83 | — | — | |
| SCHEMBL417968 | 0.82 | HTT (0.31) | — |
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-4665177-A | Tetrahydropyrimidines, a process for their production and their use as catalysts in the production of polyurethane plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | disclosed |
| EP-0054876-A1 | Tetrahydropyrimidines, method for their preparation and their use as catalysts in the production of polyurethane plastics | BAYER AG (DE) | 1982-06-30 | — | — | EP | disclosed |