Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11077864 | 0.81 | CYP2D6 (0.46) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| SCHEMBL15875037 | 0.78 | MEN1 (0.38) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| SCHEMBL10981113 | 0.78 | TSHR (0.38) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP3A4 | |
| SCHEMBL11357076 | 0.75 | CYP2C19 (0.63) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| SCHEMBL27466072 | 0.75 | CYP2C19 (0.48) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| SCHEMBL15875085 | 0.75 | MEN1 (0.35) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP3A4 | |
| SCHEMBL7913347 | 0.73 | CYP2C19 (0.47) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| Hydrochloric Acid SCHEMBL10512219 | 0.73 | CYP2C19 (0.61) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| SCHEMBL11084522 | 0.73 | TSHR (0.41) | ALDH1A1CYP2D6CYP2C19HSD17B10KIF11 | |
| SCHEMBL19765245 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP2D6CYP2C19HSD17B10CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4467102-A | RACEMIC MODIFICATION WITH BRUCINE | UBE INDUSTRIES, LTD. (JP) | 1984-08-21 | — | — | US | disclosed |