Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCND2 | P30279 | 1/20 | 0.37 |
| ▸ | CCND3 | P30281 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.36 |
| ▸ | USP2 | O75604 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CASP1 | P29466 | 6/20 | 0.36 |
| ▸ | CASP7 | P55210 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.36 |
| ▸ | GLA | P06280 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11059128 | 0.87 | KCNH2 (0.37) | KCNH2CACNA1CSCN5AALDH1A1HPGD | |
| SCHEMBL11056312 | 0.87 | LCK (0.44) | CYP1A2ALDH1A1GAAFGFR1CYP2D6 | |
| SCHEMBL11057759 | 0.87 | KCNH3 (0.35) | KCNH2CACNA1CSCN5AALDH1A1HPGD | |
| SCHEMBL11056591 | 0.86 | KCNH3 (0.39) | EGFRFGFR1 | |
| SCHEMBL11051007 | 0.86 | CDK4 (0.42) | KCNH2CACNA1CSCN5ACDK4CCND1 | |
| SCHEMBL11053577 | 0.85 | MKNK1 (0.47) | CYP1A2ALDH1A1CYP2D6MEN1KMT2A | |
| Bromide SCHEMBL11356324 | 0.84 | CDK4 (0.41) | KCNH2CACNA1CSCN5ACDK4CCND1 | |
| SCHEMBL11054647 | 0.84 | HCAR1 (0.37) | CDK4CCND1CCND2CCND3CYP1A2 | |
| Hydrochloric Acid SCHEMBL11056068 | 0.84 | CDK4 (0.41) | KCNH2CACNA1CSCN5ACDK4CCND1 | |
| SCHEMBL11056595 | 0.84 | CDK4 (0.40) | CDK4CCND1CCND2CCND3CYP1A2 |
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 |