Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.32 |
| ▸ | DHFR | P00374 | 3/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.32 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.32 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.32 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.32 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL11060153 | 0.90 | ALDH1A1 (0.34) | ROCK1DHFRELANEMAP3K14 | |
| SCHEMBL11056524 | 0.86 | HCAR1 (0.37) | GRM5MAPTHTTROCK1HRH4 | |
| SCHEMBL11057586 | 0.82 | ELANE (0.36) | GRM5MAPTHTTROCK1HRH4 | |
| SCHEMBL11056492 | 0.82 | KMT2A (0.37) | DHFRMAP3K14 | |
| SCHEMBL11053109 | 0.81 | NPEPPS (0.36) | GRM5MAPTHTTROCK1HRH4 | |
| SCHEMBL11058224 | 0.78 | HCAR1 (0.41) | HTTROCK1 | |
| SCHEMBL11058394 | 0.75 | PI4KA (0.34) | ROCK1 | |
| SCHEMBL11050203 | 0.75 | HCAR1 (0.37) | GRM5MAPTHTTHRH4DHFR | |
| SCHEMBL11056344 | 0.74 | EGFR (0.37) | MAPTHTTELANEHSP90AB1 | |
| SCHEMBL11053171 | 0.74 | ELANE (0.33) | GRM5HRH4DHFRELANEMAP3K14 |
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 |