Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872470 | 1.00 | CYP2D6 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL5872305 | 1.00 | CYP2D6 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL7786353 | 1.00 | CYP2D6 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL1131649 | 0.80 | KCNA5 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL607719 | 0.80 | KCNA5 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL1131651 | 0.80 | KCNA5 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL8620148 | 0.79 | KCNA5 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| SCHEMBL7859912 | 0.79 | LMNA (0.61) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL6543858 | 0.79 | KCNA5 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL6543863 | 0.79 | KCNA5 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E |
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-7126028-B1 | Process for preparing chiral compounds | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) | 2006-10-24 | — | — | US | disclosed |
| EP-1135349-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034210-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2000-06-15 | — | — | WO | disclosed |