Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 11/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 11/20 | 0.36 |
| ▸ | HTR1A | P08908 | 10/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 10/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20689800 | 0.85 | CA2 (0.59) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL1235933 | 0.84 | CA2 (0.51) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL27821631 | 0.83 | CA2 (0.47) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL1945756 | 0.82 | CA2 (0.50) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL1946230 | 0.82 | CA2 (0.50) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL1945754 | 0.82 | CA2 (0.50) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL10151345 | 0.79 | HTR1A (0.56) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL22117276 | 0.79 | CA2 (0.44) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL28602350 | 0.79 | CA2 (0.44) | CA2ADRA1DADRA1BHTR1AADRA1A | |
| SCHEMBL1760430 | 0.77 | CA2 (0.61) | CA2ALDH1A1NPSR1NAMPT |
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-0192060-A1 | Heterocyclic compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1986-08-27 | — | — | EP | disclosed |