Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18096775 | 0.78 | CYP2C19 (0.40) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL27932553 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL9723670 | 0.77 | CYP2D6 (0.48) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL29150945 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL21963443 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL29150948 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL301345 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL6021075 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL7196262 | 0.72 | ALDH1A1 (0.45) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL27656872 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |