Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6903024 | 0.94 | CYP2C19 (0.50) | CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL27752053 | 0.91 | ALDH1A1 (0.39) | CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL9875365 | 0.82 | ALDH1A1 (0.34) | ALDH1A1LMNAHSD17B10 | |
| SCHEMBL9680322 | 0.79 | CYP2C19 (0.38) | CYP2C19ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL19216702 | 0.78 | CYP2C19 (0.45) | CYP2C19FFAR3DGAT1CYP4F2CYP4A11 | |
| SCHEMBL31341749 | 0.78 | ALDH1A1 (0.34) | ALDH1A1LMNAHSD17B10SMN1; SMN2GAA | |
| SCHEMBL12204121 | 0.76 | CYP4F2 (0.50) | CYP2C19ALDH1A1LMNAHSD17B10MAPT | |
| SCHEMBL1812027 | 0.74 | CYP2C19 (0.50) | CYP2C19FFAR3TSHRDGAT1CYP4F2 | |
| SCHEMBL13195574 | 0.74 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10SMN1; SMN2GAA | |
| SCHEMBL19753 | 0.72 | CYP2C19 (0.54) | CYP2C19ALDH1A1LMNASMN1; SMN2FFAR3 |
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-5049696-A | Enzyme inhibitors | MERCK & CO., INC. (US) | 1991-09-17 | — | — | US | disclosed |
| US-4847306-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0245004-A2 | Antihypercholesterolemic compounds | MERCK & CO. INC. (US) | 1987-11-11 | — | — | EP | disclosed |