Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 6/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCND2 | P30279 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL11050195 | 0.84 | HCAR1 (0.39) | HCAR1FGFR1CHRNA7 | |
| SCHEMBL11053098 | 0.83 | HCAR1 (0.43) | HCAR1LCKCDK4CCND1CCND2 | |
| SCHEMBL11056595 | 0.82 | CDK4 (0.40) | HCAR1LCKCDK4CCND1CCND2 | |
| SCHEMBL11058209 | 0.81 | HCAR1 (0.38) | HCAR1LCKALDH1A1GAAKMT2A | |
| SCHEMBL11061839 | 0.80 | HCAR1 (0.37) | HCAR1CDK4CCND1CCND2CCND3 | |
| SCHEMBL11054647 | 0.80 | HCAR1 (0.37) | HCAR1CDK4CCND1CCND2CCND3 | |
| SCHEMBL11061669 | 0.79 | WEE1 (0.44) | CDK4CCND1CCND2CCND3FGFR1 | |
| SCHEMBL11053291 | 0.78 | HCAR1 (0.35) | HCAR1LCKFGFR1MEN1KMT2A | |
| SCHEMBL11057546 | 0.78 | KDM4E (0.41) | CDK4CCND1CCND2CCND3FGFR1 | |
| SCHEMBL11057004 | 0.77 | LCK (0.43) | LCKALDH1A1GAAELANE |
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 |