Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3246503 | 0.90 | ALDH1A1 (0.68) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3002840 | 0.88 | ALDH1A1 (0.63) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL2993880 | 0.87 | ALDH1A1 (0.60) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3005607 | 0.87 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3131440 | 0.87 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL2996994 | 0.86 | ALDH1A1 (0.60) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3002857 | 0.85 | ALDH1A1 (0.57) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3003987 | 0.84 | ALDH1A1 (0.58) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3249874 | 0.84 | ALDH1A1 (0.67) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3242039 | 0.84 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009006580-A1 | OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS | CV THERAPEUTICS, INC. (US) | 2009-01-08 | — | — | WO | disclosed |