Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12356880 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP2D6CYP2C19HSD17B10 | |
| SCHEMBL21216495 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP2D6CYP2C19HSD17B10 | |
| SCHEMBL6681496 | 0.75 | TAAR1 (0.50) | ALDH1A1CYP2D6CYP2C19HSD17B10RIPK1 | |
| SCHEMBL907893 | 0.73 | CYP2D6 (0.39) | ALDH1A1CYP2D6CYP2C19HSD17B10RIPK1 | |
| SCHEMBL872854 | 0.72 | CYP2C19 (0.46) | ALDH1A1CYP2D6CYP2C19HSD17B10RIPK1 | |
| SCHEMBL21462898 | 0.71 | RIPK1 (0.40) | ALDH1A1CYP2D6CYP2C19HSD17B10RIPK1 | |
| SCHEMBL3997241 | 0.71 | CTDSP1 (0.41) | ALDH1A1TSHRCYP2D6CYP2C19HSD17B10 | |
| SCHEMBL27491062 | 0.70 | TSHR (0.46) | ALDH1A1TSHRCYP2C19MEN1KMT2A | |
| SCHEMBL3997340 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP2D6CYP2C19HSD17B10 | |
| SCHEMBL28004294 | 0.69 | CYP2D6 (0.46) | ALDH1A1CYP2D6CYP2C19HSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1135349-B1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIV ST ANDREWS (GB) | 2005-04-06 | — | — | EP | claimed |