Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317845 | 0.75 | KCNN4 (0.41) | KCNN4ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL27328709 | 0.70 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C19HSD17B10MEN1 | |
| SCHEMBL13400219 | 0.68 | CYP2D6 (0.53) | KCNN4ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL28831874 | 0.68 | KCNN4 (0.44) | KCNN4ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL6325226 | 0.67 | KCNN4 (0.52) | KCNN4ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL19430485 | 0.67 | SLC6A2 (0.41) | ALDH1A1MEN1KMT2AKDM4ETRPA1 | |
| SCHEMBL3320768 | 0.66 | KCNN4 (0.50) | KCNN4ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL27992606 | 0.66 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10MEN1 | |
| Triphenylmethanol SCHEMBL9756706 | 0.66 | CRHBP (0.39) | ALDH1A1CYP2D6CYP2C19HSD17B10MEN1 | |
| SCHEMBL25184420 | 0.65 | F2 (0.42) | KCNN4 |
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-4864017-A | Novel renin inhibiting peptides having a dihyroxyethylene isostere transition state insert | THE UPJOHN COMPANY (US) | 1989-09-05 | — | — | US | disclosed |
| EP-0237202-A2 | Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert | THE UPJOHN COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |
| WO-1987005302-A1 | NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT | THE UPJOHN COMPANY (US) | 1987-09-11 | — | — | WO | disclosed |