Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11054404 | 0.90 | HCAR1 (0.46) | HCAR1CHRNA7EGFRFGFR1SRC | |
| Hydrochloric Acid SCHEMBL11052665 | 0.89 | HCAR1 (0.44) | HCAR1CHRNA7EGFRFGFR1SRC | |
| SCHEMBL11052653 | 0.85 | FGFR1 (0.41) | HCAR1CHRNA7PDE7AMAPK14EGFR | |
| SCHEMBL11057854 | 0.84 | HCAR1 (0.41) | HCAR1CHRNA7PDE4APDE4BPDE4C | |
| SCHEMBL11059212 | 0.84 | HCAR1 (0.38) | HCAR1CHRNA7EGFRFGFR1SRC | |
| SCHEMBL11054604 | 0.84 | CHRNA7 (0.47) | HCAR1CHRNA7MAPK14EGFRFGFR1 | |
| SCHEMBL11054879 | 0.84 | HCAR1 (0.38) | HCAR1CHRNA7PDE7AEGFRFGFR1 | |
| SCHEMBL11058341 | 0.82 | APLNR (0.38) | HCAR1MAPK14FGFR1 | |
| SCHEMBL11054450 | 0.81 | HCAR1 (0.40) | HCAR1CHRNA7PDE7APDE4APDE4B | |
| SCHEMBL11059402 | 0.80 | KMT2A (0.39) | HCAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |